USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 905 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot 165:sc= 0.593 USER MOD Set 1.2: A 39 TYR OH : rot 69:sc= 0.0341 USER MOD Set 1.3: A 102 SER OG : rot -87:sc= 1.85 USER MOD Set 2.1: A 99 TYR OH : rot 30:sc= 0.999 USER MOD Set 2.2: A 114 THR OG1 : rot 113:sc= 1.4 USER MOD Set 3.1: A 85 TYR OH : rot -70:sc= 1.02 USER MOD Set 3.2: A 93 TYR OH : rot 165:sc= 0.873 USER MOD Set 4.1: A 46 LYS NZ :NH3+ -128:sc= -0.123 (180deg=0) USER MOD Set 4.2: A 48 ASN : amide:sc= -3.11 K(o=-3.2,f=-13!) USER MOD Set 5.1: A 40 GLN : amide:sc= 0.906 K(o=1.5,f=-2.3!) USER MOD Set 5.2: A 75 TYR OH : rot 93:sc= 0.562 USER MOD Set 6.1: A 27 ASN : amide:sc= 0.118 X(o=0.19,f=0.5) USER MOD Set 6.2: A 80 GLN : amide:sc= 0.071 X(o=0.19,f=0.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 174:sc= 0.437 USER MOD Single : A 38 MET CE :methyl 177:sc= -5.01! (180deg=-5.32!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -92:sc= -0.0429 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -32:sc= 0.558 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 73 THR OG1 : rot 160:sc= 0.00209 USER MOD Single : A 76 HIS :FLIP no HD1:sc= -0.224 F(o=-0.98,f=-0.22) USER MOD Single : A 77 HIS : no HE2:sc= -0.919 X(o=-0.92,f=-1.2) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 152:sc= -0.105 (180deg=-0.542) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -2.67 K(o=-2.7,f=-7.2!) USER MOD Single : A 108 CYS SG : rot 39:sc= -0.0212 USER MOD Single : A 109 TYR OH : rot -27:sc= 0.196 USER MOD Single : A 121 ASN : amide:sc= -0.0754 K(o=-0.075,f=-0.71) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 110:sc= -0.69 USER MOD Single : A 125 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-1.7) USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 7 -6.857 7.293 6.142 1.00 62.24 N ATOM 84 CA ASP A 7 -7.925 6.573 6.825 1.00 73.24 C ATOM 85 C ASP A 7 -8.650 5.636 5.863 1.00 14.32 C ATOM 86 O ASP A 7 -9.591 4.940 6.249 1.00 43.14 O ATOM 87 CB ASP A 7 -8.919 7.558 7.443 1.00 25.33 C ATOM 88 CG ASP A 7 -10.310 7.422 6.856 1.00 2.25 C ATOM 89 OD1 ASP A 7 -10.590 8.083 5.834 1.00 21.11 O ATOM 90 OD2 ASP A 7 -11.118 6.655 7.419 1.00 34.00 O ATOM 0 HA ASP A 7 -7.477 5.975 7.619 1.00 73.24 H new ATOM 0 HB2 ASP A 7 -8.965 7.396 8.520 1.00 25.33 H new ATOM 0 HB3 ASP A 7 -8.561 8.576 7.289 1.00 25.33 H new ATOM 95 N LEU A 8 -8.208 5.625 4.611 1.00 73.34 N ATOM 96 CA LEU A 8 -8.816 4.774 3.593 1.00 43.33 C ATOM 97 C LEU A 8 -8.402 3.318 3.782 1.00 42.43 C ATOM 98 O LEU A 8 -9.040 2.407 3.253 1.00 24.21 O ATOM 99 CB LEU A 8 -8.416 5.253 2.196 1.00 75.33 C ATOM 100 CG LEU A 8 -9.296 6.343 1.583 1.00 2.41 C ATOM 101 CD1 LEU A 8 -8.445 7.513 1.112 1.00 33.03 C ATOM 102 CD2 LEU A 8 -10.118 5.782 0.432 1.00 23.10 C ATOM 0 H LEU A 8 -7.431 6.195 4.276 1.00 73.34 H new ATOM 0 HA LEU A 8 -9.899 4.841 3.698 1.00 43.33 H new ATOM 0 HB2 LEU A 8 -7.392 5.623 2.240 1.00 75.33 H new ATOM 0 HB3 LEU A 8 -8.416 4.394 1.525 1.00 75.33 H new ATOM 0 HG LEU A 8 -9.982 6.703 2.350 1.00 2.41 H new ATOM 0 HD11 LEU A 8 -9.088 8.279 0.679 1.00 33.03 H new ATOM 0 HD12 LEU A 8 -7.902 7.932 1.959 1.00 33.03 H new ATOM 0 HD13 LEU A 8 -7.735 7.167 0.361 1.00 33.03 H new ATOM 0 HD21 LEU A 8 -10.738 6.572 0.009 1.00 23.10 H new ATOM 0 HD22 LEU A 8 -9.450 5.394 -0.337 1.00 23.10 H new ATOM 0 HD23 LEU A 8 -10.756 4.978 0.799 1.00 23.10 H new ATOM 114 N LEU A 9 -7.332 3.107 4.540 1.00 62.30 N ATOM 115 CA LEU A 9 -6.833 1.761 4.801 1.00 35.24 C ATOM 116 C LEU A 9 -7.084 1.360 6.252 1.00 65.34 C ATOM 117 O LEU A 9 -7.277 2.201 7.130 1.00 70.24 O ATOM 118 CB LEU A 9 -5.338 1.680 4.488 1.00 34.44 C ATOM 119 CG LEU A 9 -4.510 2.915 4.844 1.00 31.32 C ATOM 120 CD1 LEU A 9 -4.775 4.038 3.854 1.00 0.42 C ATOM 121 CD2 LEU A 9 -4.814 3.370 6.264 1.00 21.31 C ATOM 0 H LEU A 9 -6.793 3.850 4.985 1.00 62.30 H new ATOM 0 HA LEU A 9 -7.371 1.068 4.153 1.00 35.24 H new ATOM 0 HB2 LEU A 9 -4.922 0.823 5.018 1.00 34.44 H new ATOM 0 HB3 LEU A 9 -5.220 1.483 3.422 1.00 34.44 H new ATOM 0 HG LEU A 9 -3.454 2.650 4.787 1.00 31.32 H new ATOM 0 HD11 LEU A 9 -4.177 4.909 4.123 1.00 0.42 H new ATOM 0 HD12 LEU A 9 -4.506 3.709 2.850 1.00 0.42 H new ATOM 0 HD13 LEU A 9 -5.832 4.302 3.878 1.00 0.42 H new ATOM 0 HD21 LEU A 9 -4.216 4.250 6.500 1.00 21.31 H new ATOM 0 HD22 LEU A 9 -5.872 3.617 6.348 1.00 21.31 H new ATOM 0 HD23 LEU A 9 -4.572 2.569 6.962 1.00 21.31 H new ATOM 133 N PRO A 10 -7.078 0.044 6.511 1.00 22.23 N ATOM 134 CA PRO A 10 -7.300 -0.499 7.855 1.00 44.02 C ATOM 135 C PRO A 10 -6.136 -0.209 8.797 1.00 51.44 C ATOM 136 O PRO A 10 -5.018 0.081 8.370 1.00 30.11 O ATOM 137 CB PRO A 10 -7.428 -2.005 7.612 1.00 12.13 C ATOM 138 CG PRO A 10 -6.674 -2.251 6.351 1.00 33.22 C ATOM 139 CD PRO A 10 -6.854 -1.016 5.513 1.00 2.43 C ATOM 0 HA PRO A 10 -8.172 -0.055 8.335 1.00 44.02 H new ATOM 0 HB2 PRO A 10 -7.010 -2.577 8.441 1.00 12.13 H new ATOM 0 HB3 PRO A 10 -8.472 -2.303 7.514 1.00 12.13 H new ATOM 0 HG2 PRO A 10 -5.619 -2.433 6.556 1.00 33.22 H new ATOM 0 HG3 PRO A 10 -7.055 -3.132 5.834 1.00 33.22 H new ATOM 0 HD2 PRO A 10 -5.974 -0.813 4.902 1.00 2.43 H new ATOM 0 HD3 PRO A 10 -7.700 -1.112 4.832 1.00 2.43 H new ATOM 147 N PRO A 11 -6.402 -0.288 10.109 1.00 50.51 N ATOM 148 CA PRO A 11 -5.389 -0.038 11.138 1.00 2.44 C ATOM 149 C PRO A 11 -4.330 -1.133 11.187 1.00 24.45 C ATOM 150 O PRO A 11 -3.322 -1.004 11.881 1.00 4.52 O ATOM 151 CB PRO A 11 -6.199 -0.019 12.437 1.00 54.12 C ATOM 152 CG PRO A 11 -7.403 -0.847 12.144 1.00 41.21 C ATOM 153 CD PRO A 11 -7.712 -0.627 10.689 1.00 72.42 C ATOM 0 HA PRO A 11 -4.837 0.883 10.951 1.00 2.44 H new ATOM 0 HB2 PRO A 11 -5.626 -0.433 13.267 1.00 54.12 H new ATOM 0 HB3 PRO A 11 -6.476 0.998 12.716 1.00 54.12 H new ATOM 0 HG2 PRO A 11 -7.211 -1.901 12.347 1.00 41.21 H new ATOM 0 HG3 PRO A 11 -8.243 -0.549 12.771 1.00 41.21 H new ATOM 0 HD2 PRO A 11 -8.136 -1.520 10.229 1.00 72.42 H new ATOM 0 HD3 PRO A 11 -8.434 0.178 10.549 1.00 72.42 H new ATOM 161 N GLU A 12 -4.565 -2.212 10.446 1.00 13.44 N ATOM 162 CA GLU A 12 -3.630 -3.330 10.407 1.00 52.10 C ATOM 163 C GLU A 12 -2.414 -2.992 9.550 1.00 3.10 C ATOM 164 O GLU A 12 -1.298 -3.425 9.837 1.00 64.40 O ATOM 165 CB GLU A 12 -4.320 -4.582 9.861 1.00 14.41 C ATOM 166 CG GLU A 12 -4.821 -4.428 8.435 1.00 51.52 C ATOM 167 CD GLU A 12 -3.894 -5.066 7.419 1.00 70.11 C ATOM 168 OE1 GLU A 12 -2.682 -5.166 7.701 1.00 21.35 O ATOM 169 OE2 GLU A 12 -4.382 -5.466 6.341 1.00 44.02 O ATOM 0 H GLU A 12 -5.394 -2.335 9.865 1.00 13.44 H new ATOM 0 HA GLU A 12 -3.293 -3.524 11.425 1.00 52.10 H new ATOM 0 HB2 GLU A 12 -3.623 -5.419 9.904 1.00 14.41 H new ATOM 0 HB3 GLU A 12 -5.161 -4.834 10.507 1.00 14.41 H new ATOM 0 HG2 GLU A 12 -5.810 -4.877 8.351 1.00 51.52 H new ATOM 0 HG3 GLU A 12 -4.932 -3.368 8.205 1.00 51.52 H new ATOM 176 N LYS A 13 -2.638 -2.215 8.496 1.00 44.13 N ATOM 177 CA LYS A 13 -1.562 -1.817 7.596 1.00 44.22 C ATOM 178 C LYS A 13 -1.225 -0.339 7.770 1.00 74.20 C ATOM 179 O LYS A 13 -0.190 0.131 7.300 1.00 60.14 O ATOM 180 CB LYS A 13 -1.955 -2.093 6.143 1.00 35.20 C ATOM 181 CG LYS A 13 -2.932 -1.078 5.574 1.00 65.23 C ATOM 182 CD LYS A 13 -2.214 0.003 4.784 1.00 42.32 C ATOM 183 CE LYS A 13 -1.587 -0.556 3.516 1.00 54.45 C ATOM 184 NZ LYS A 13 -0.126 -0.278 3.450 1.00 23.31 N ATOM 0 H LYS A 13 -3.556 -1.848 8.244 1.00 44.13 H new ATOM 0 HA LYS A 13 -0.679 -2.405 7.845 1.00 44.22 H new ATOM 0 HB2 LYS A 13 -1.055 -2.103 5.528 1.00 35.20 H new ATOM 0 HB3 LYS A 13 -2.397 -3.087 6.078 1.00 35.20 H new ATOM 0 HG2 LYS A 13 -3.651 -1.585 4.930 1.00 65.23 H new ATOM 0 HG3 LYS A 13 -3.498 -0.622 6.386 1.00 65.23 H new ATOM 0 HD2 LYS A 13 -2.918 0.794 4.525 1.00 42.32 H new ATOM 0 HD3 LYS A 13 -1.441 0.455 5.405 1.00 42.32 H new ATOM 0 HE2 LYS A 13 -1.754 -1.632 3.472 1.00 54.45 H new ATOM 0 HE3 LYS A 13 -2.079 -0.122 2.646 1.00 54.45 H new ATOM 0 HZ1 LYS A 13 0.264 -0.675 2.571 1.00 23.31 H new ATOM 0 HZ2 LYS A 13 0.033 0.750 3.466 1.00 23.31 H new ATOM 0 HZ3 LYS A 13 0.348 -0.714 4.267 1.00 23.31 H new ATOM 198 N ALA A 14 -2.106 0.387 8.450 1.00 53.30 N ATOM 199 CA ALA A 14 -1.901 1.810 8.689 1.00 5.41 C ATOM 200 C ALA A 14 -0.706 2.046 9.608 1.00 73.43 C ATOM 201 O ALA A 14 -0.086 3.109 9.576 1.00 32.24 O ATOM 202 CB ALA A 14 -3.156 2.433 9.282 1.00 22.24 C ATOM 0 H ALA A 14 -2.969 0.013 8.845 1.00 53.30 H new ATOM 0 HA ALA A 14 -1.690 2.287 7.732 1.00 5.41 H new ATOM 0 HB1 ALA A 14 -2.988 3.496 9.455 1.00 22.24 H new ATOM 0 HB2 ALA A 14 -3.988 2.305 8.589 1.00 22.24 H new ATOM 0 HB3 ALA A 14 -3.393 1.945 10.227 1.00 22.24 H new ATOM 208 N PHE A 15 -0.389 1.047 10.426 1.00 51.44 N ATOM 209 CA PHE A 15 0.730 1.147 11.355 1.00 64.43 C ATOM 210 C PHE A 15 1.810 0.123 11.017 1.00 62.14 C ATOM 211 O PHE A 15 1.521 -1.055 10.807 1.00 71.21 O ATOM 212 CB PHE A 15 0.248 0.940 12.792 1.00 72.31 C ATOM 213 CG PHE A 15 -0.998 1.711 13.123 1.00 70.23 C ATOM 214 CD1 PHE A 15 -1.023 3.092 13.016 1.00 23.11 C ATOM 215 CD2 PHE A 15 -2.144 1.054 13.541 1.00 54.22 C ATOM 216 CE1 PHE A 15 -2.168 3.805 13.319 1.00 24.54 C ATOM 217 CE2 PHE A 15 -3.292 1.761 13.845 1.00 52.30 C ATOM 218 CZ PHE A 15 -3.304 3.138 13.735 1.00 5.24 C ATOM 0 H PHE A 15 -0.891 0.160 10.464 1.00 51.44 H new ATOM 0 HA PHE A 15 1.158 2.145 11.263 1.00 64.43 H new ATOM 0 HB2 PHE A 15 0.063 -0.122 12.955 1.00 72.31 H new ATOM 0 HB3 PHE A 15 1.041 1.235 13.479 1.00 72.31 H new ATOM 0 HD1 PHE A 15 -0.137 3.618 12.692 1.00 23.11 H new ATOM 0 HD2 PHE A 15 -2.140 -0.022 13.630 1.00 54.22 H new ATOM 0 HE1 PHE A 15 -2.174 4.881 13.231 1.00 24.54 H new ATOM 0 HE2 PHE A 15 -4.179 1.237 14.168 1.00 52.30 H new ATOM 0 HZ PHE A 15 -4.200 3.692 13.974 1.00 5.24 H new ATOM 228 N VAL A 16 3.057 0.582 10.965 1.00 72.41 N ATOM 229 CA VAL A 16 4.181 -0.293 10.653 1.00 51.11 C ATOM 230 C VAL A 16 5.213 -0.283 11.775 1.00 33.32 C ATOM 231 O VAL A 16 6.238 0.395 11.704 1.00 70.43 O ATOM 232 CB VAL A 16 4.866 0.121 9.337 1.00 11.30 C ATOM 233 CG1 VAL A 16 5.905 -0.911 8.928 1.00 64.11 C ATOM 234 CG2 VAL A 16 3.833 0.315 8.237 1.00 21.11 C ATOM 0 H VAL A 16 3.314 1.554 11.135 1.00 72.41 H new ATOM 0 HA VAL A 16 3.778 -1.300 10.543 1.00 51.11 H new ATOM 0 HB VAL A 16 5.376 1.071 9.496 1.00 11.30 H new ATOM 0 HG11 VAL A 16 6.378 -0.601 7.996 1.00 64.11 H new ATOM 0 HG12 VAL A 16 6.661 -0.995 9.709 1.00 64.11 H new ATOM 0 HG13 VAL A 16 5.421 -1.877 8.786 1.00 64.11 H new ATOM 0 HG21 VAL A 16 4.334 0.607 7.314 1.00 21.11 H new ATOM 0 HG22 VAL A 16 3.293 -0.618 8.077 1.00 21.11 H new ATOM 0 HG23 VAL A 16 3.131 1.095 8.531 1.00 21.11 H new ATOM 244 N PRO A 17 4.938 -1.054 12.838 1.00 12.42 N ATOM 245 CA PRO A 17 5.831 -1.152 13.997 1.00 72.14 C ATOM 246 C PRO A 17 7.123 -1.893 13.671 1.00 43.21 C ATOM 247 O PRO A 17 7.106 -2.919 12.992 1.00 4.02 O ATOM 248 CB PRO A 17 5.005 -1.941 15.015 1.00 35.04 C ATOM 249 CG PRO A 17 4.048 -2.734 14.194 1.00 35.22 C ATOM 250 CD PRO A 17 3.734 -1.888 12.991 1.00 64.40 C ATOM 0 HA PRO A 17 6.147 -0.171 14.352 1.00 72.14 H new ATOM 0 HB2 PRO A 17 5.638 -2.589 15.621 1.00 35.04 H new ATOM 0 HB3 PRO A 17 4.481 -1.275 15.701 1.00 35.04 H new ATOM 0 HG2 PRO A 17 4.485 -3.687 13.897 1.00 35.22 H new ATOM 0 HG3 PRO A 17 3.144 -2.960 14.759 1.00 35.22 H new ATOM 0 HD2 PRO A 17 3.553 -2.499 12.106 1.00 64.40 H new ATOM 0 HD3 PRO A 17 2.842 -1.281 13.148 1.00 64.40 H new ATOM 258 N GLU A 18 8.241 -1.366 14.160 1.00 45.42 N ATOM 259 CA GLU A 18 9.543 -1.978 13.919 1.00 33.23 C ATOM 260 C GLU A 18 10.409 -1.926 15.175 1.00 51.04 C ATOM 261 O GLU A 18 10.542 -0.878 15.807 1.00 5.35 O ATOM 262 CB GLU A 18 10.257 -1.274 12.764 1.00 40.02 C ATOM 263 CG GLU A 18 11.387 -2.090 12.159 1.00 2.02 C ATOM 264 CD GLU A 18 11.647 -1.740 10.707 1.00 42.02 C ATOM 265 OE1 GLU A 18 10.906 -2.238 9.834 1.00 23.40 O ATOM 266 OE2 GLU A 18 12.592 -0.967 10.444 1.00 41.14 O ATOM 0 H GLU A 18 8.272 -0.517 14.725 1.00 45.42 H new ATOM 0 HA GLU A 18 9.381 -3.023 13.653 1.00 33.23 H new ATOM 0 HB2 GLU A 18 9.530 -1.043 11.986 1.00 40.02 H new ATOM 0 HB3 GLU A 18 10.656 -0.324 13.120 1.00 40.02 H new ATOM 0 HG2 GLU A 18 12.297 -1.927 12.737 1.00 2.02 H new ATOM 0 HG3 GLU A 18 11.146 -3.150 12.236 1.00 2.02 H new ATOM 273 N LEU A 19 10.995 -3.064 15.529 1.00 20.13 N ATOM 274 CA LEU A 19 11.848 -3.150 16.709 1.00 5.23 C ATOM 275 C LEU A 19 13.321 -3.201 16.314 1.00 73.51 C ATOM 276 O LEU A 19 13.676 -3.764 15.279 1.00 42.23 O ATOM 277 CB LEU A 19 11.487 -4.385 17.536 1.00 71.22 C ATOM 278 CG LEU A 19 11.777 -4.298 19.035 1.00 60.43 C ATOM 279 CD1 LEU A 19 13.265 -4.463 19.301 1.00 43.23 C ATOM 280 CD2 LEU A 19 11.275 -2.977 19.599 1.00 21.54 C ATOM 0 H LEU A 19 10.895 -3.940 15.016 1.00 20.13 H new ATOM 0 HA LEU A 19 11.683 -2.257 17.311 1.00 5.23 H new ATOM 0 HB2 LEU A 19 10.424 -4.588 17.403 1.00 71.22 H new ATOM 0 HB3 LEU A 19 12.028 -5.240 17.131 1.00 71.22 H new ATOM 0 HG LEU A 19 11.248 -5.108 19.536 1.00 60.43 H new ATOM 0 HD11 LEU A 19 13.452 -4.398 20.373 1.00 43.23 H new ATOM 0 HD12 LEU A 19 13.595 -5.435 18.933 1.00 43.23 H new ATOM 0 HD13 LEU A 19 13.816 -3.675 18.788 1.00 43.23 H new ATOM 0 HD21 LEU A 19 11.490 -2.932 20.667 1.00 21.54 H new ATOM 0 HD22 LEU A 19 11.776 -2.152 19.093 1.00 21.54 H new ATOM 0 HD23 LEU A 19 10.199 -2.900 19.442 1.00 21.54 H new ATOM 292 N ALA A 20 14.173 -2.613 17.147 1.00 52.32 N ATOM 293 CA ALA A 20 15.607 -2.595 16.886 1.00 31.44 C ATOM 294 C ALA A 20 16.402 -2.650 18.187 1.00 54.33 C ATOM 295 O ALA A 20 16.495 -1.659 18.911 1.00 14.40 O ATOM 296 CB ALA A 20 15.983 -1.357 16.087 1.00 42.22 C ATOM 0 H ALA A 20 13.895 -2.143 18.008 1.00 52.32 H new ATOM 0 HA ALA A 20 15.856 -3.480 16.301 1.00 31.44 H new ATOM 0 HB1 ALA A 20 17.057 -1.357 15.900 1.00 42.22 H new ATOM 0 HB2 ALA A 20 15.449 -1.361 15.137 1.00 42.22 H new ATOM 0 HB3 ALA A 20 15.713 -0.464 16.651 1.00 42.22 H new ATOM 302 N VAL A 21 16.973 -3.814 18.478 1.00 70.14 N ATOM 303 CA VAL A 21 17.760 -3.997 19.691 1.00 64.41 C ATOM 304 C VAL A 21 19.143 -3.370 19.549 1.00 54.10 C ATOM 305 O VAL A 21 19.789 -3.496 18.509 1.00 11.24 O ATOM 306 CB VAL A 21 17.919 -5.490 20.037 1.00 43.22 C ATOM 307 CG1 VAL A 21 18.874 -5.668 21.207 1.00 23.12 C ATOM 308 CG2 VAL A 21 16.566 -6.112 20.343 1.00 75.40 C ATOM 0 H VAL A 21 16.905 -4.645 17.890 1.00 70.14 H new ATOM 0 HA VAL A 21 17.220 -3.500 20.497 1.00 64.41 H new ATOM 0 HB VAL A 21 18.342 -6.003 19.173 1.00 43.22 H new ATOM 0 HG11 VAL A 21 18.974 -6.729 21.437 1.00 23.12 H new ATOM 0 HG12 VAL A 21 19.850 -5.260 20.945 1.00 23.12 H new ATOM 0 HG13 VAL A 21 18.483 -5.143 22.079 1.00 23.12 H new ATOM 0 HG21 VAL A 21 16.697 -7.167 20.585 1.00 75.40 H new ATOM 0 HG22 VAL A 21 16.113 -5.598 21.191 1.00 75.40 H new ATOM 0 HG23 VAL A 21 15.917 -6.018 19.472 1.00 75.40 H new ATOM 318 N ALA A 22 19.590 -2.694 20.602 1.00 43.31 N ATOM 319 CA ALA A 22 20.897 -2.048 20.596 1.00 63.40 C ATOM 320 C ALA A 22 21.743 -2.510 21.778 1.00 71.21 C ATOM 321 O ALA A 22 21.321 -3.362 22.560 1.00 70.41 O ATOM 322 CB ALA A 22 20.739 -0.535 20.617 1.00 71.30 C ATOM 0 H ALA A 22 19.067 -2.579 21.470 1.00 43.31 H new ATOM 0 HA ALA A 22 21.412 -2.335 19.679 1.00 63.40 H new ATOM 0 HB1 ALA A 22 21.723 -0.066 20.612 1.00 71.30 H new ATOM 0 HB2 ALA A 22 20.181 -0.215 19.737 1.00 71.30 H new ATOM 0 HB3 ALA A 22 20.200 -0.238 21.517 1.00 71.30 H new ATOM 328 N ASP A 23 22.938 -1.943 21.902 1.00 72.23 N ATOM 329 CA ASP A 23 23.843 -2.297 22.989 1.00 11.31 C ATOM 330 C ASP A 23 23.610 -1.402 24.203 1.00 71.24 C ATOM 331 O ASP A 23 24.004 -1.739 25.319 1.00 33.14 O ATOM 332 CB ASP A 23 25.297 -2.183 22.528 1.00 31.51 C ATOM 333 CG ASP A 23 26.214 -3.138 23.267 1.00 64.25 C ATOM 334 OD1 ASP A 23 26.255 -3.076 24.513 1.00 64.21 O ATOM 335 OD2 ASP A 23 26.892 -3.947 22.598 1.00 41.30 O ATOM 0 H ASP A 23 23.302 -1.236 21.263 1.00 72.23 H new ATOM 0 HA ASP A 23 23.641 -3.329 23.276 1.00 11.31 H new ATOM 0 HB2 ASP A 23 25.353 -2.384 21.458 1.00 31.51 H new ATOM 0 HB3 ASP A 23 25.644 -1.161 22.678 1.00 31.51 H new ATOM 340 N ASP A 24 22.969 -0.261 23.976 1.00 73.15 N ATOM 341 CA ASP A 24 22.683 0.682 25.050 1.00 1.41 C ATOM 342 C ASP A 24 21.180 0.811 25.275 1.00 32.44 C ATOM 343 O ASP A 24 20.717 1.750 25.921 1.00 35.32 O ATOM 344 CB ASP A 24 23.282 2.052 24.727 1.00 13.43 C ATOM 345 CG ASP A 24 24.569 2.315 25.484 1.00 32.32 C ATOM 346 OD1 ASP A 24 25.537 1.549 25.293 1.00 33.40 O ATOM 347 OD2 ASP A 24 24.609 3.287 26.267 1.00 33.40 O ATOM 0 H ASP A 24 22.638 0.033 23.057 1.00 73.15 H new ATOM 0 HA ASP A 24 23.137 0.301 25.965 1.00 1.41 H new ATOM 0 HB2 ASP A 24 23.474 2.118 23.656 1.00 13.43 H new ATOM 0 HB3 ASP A 24 22.556 2.829 24.969 1.00 13.43 H new ATOM 352 N GLY A 25 20.422 -0.140 24.737 1.00 64.31 N ATOM 353 CA GLY A 25 18.979 -0.114 24.889 1.00 24.52 C ATOM 354 C GLY A 25 18.257 -0.622 23.657 1.00 62.10 C ATOM 355 O GLY A 25 18.878 -1.168 22.745 1.00 23.31 O ATOM 0 H GLY A 25 20.782 -0.928 24.199 1.00 64.31 H new ATOM 0 HA2 GLY A 25 18.696 -0.722 25.748 1.00 24.52 H new ATOM 0 HA3 GLY A 25 18.657 0.906 25.100 1.00 24.52 H new ATOM 359 N VAL A 26 16.940 -0.443 23.629 1.00 22.41 N ATOM 360 CA VAL A 26 16.132 -0.888 22.500 1.00 41.22 C ATOM 361 C VAL A 26 15.367 0.276 21.880 1.00 33.10 C ATOM 362 O VAL A 26 14.825 1.123 22.589 1.00 51.04 O ATOM 363 CB VAL A 26 15.131 -1.980 22.921 1.00 1.02 C ATOM 364 CG1 VAL A 26 14.438 -2.569 21.702 1.00 43.32 C ATOM 365 CG2 VAL A 26 15.834 -3.066 23.722 1.00 71.14 C ATOM 0 H VAL A 26 16.410 0.007 24.375 1.00 22.41 H new ATOM 0 HA VAL A 26 16.820 -1.302 21.762 1.00 41.22 H new ATOM 0 HB VAL A 26 14.371 -1.526 23.556 1.00 1.02 H new ATOM 0 HG11 VAL A 26 13.735 -3.339 22.020 1.00 43.32 H new ATOM 0 HG12 VAL A 26 13.900 -1.782 21.173 1.00 43.32 H new ATOM 0 HG13 VAL A 26 15.182 -3.009 21.038 1.00 43.32 H new ATOM 0 HG21 VAL A 26 15.112 -3.830 24.011 1.00 71.14 H new ATOM 0 HG22 VAL A 26 16.616 -3.519 23.113 1.00 71.14 H new ATOM 0 HG23 VAL A 26 16.278 -2.629 24.616 1.00 71.14 H new ATOM 375 N ASN A 27 15.326 0.310 20.552 1.00 44.10 N ATOM 376 CA ASN A 27 14.627 1.371 19.836 1.00 60.43 C ATOM 377 C ASN A 27 13.492 0.800 18.991 1.00 33.34 C ATOM 378 O ASN A 27 13.685 -0.151 18.233 1.00 13.30 O ATOM 379 CB ASN A 27 15.603 2.142 18.944 1.00 34.32 C ATOM 380 CG ASN A 27 16.316 3.252 19.692 1.00 34.52 C ATOM 381 OD1 ASN A 27 16.046 4.433 19.477 1.00 52.31 O ATOM 382 ND2 ASN A 27 17.232 2.875 20.577 1.00 51.04 N ATOM 0 H ASN A 27 15.768 -0.385 19.950 1.00 44.10 H new ATOM 0 HA ASN A 27 14.202 2.053 20.572 1.00 60.43 H new ATOM 0 HB2 ASN A 27 16.340 1.451 18.535 1.00 34.32 H new ATOM 0 HB3 ASN A 27 15.061 2.567 18.099 1.00 34.32 H new ATOM 0 HD21 ASN A 27 17.744 3.577 21.111 1.00 51.04 H new ATOM 0 HD22 ASN A 27 17.423 1.884 20.722 1.00 51.04 H new ATOM 389 N VAL A 28 12.307 1.387 19.128 1.00 31.30 N ATOM 390 CA VAL A 28 11.140 0.938 18.377 1.00 4.31 C ATOM 391 C VAL A 28 10.489 2.097 17.630 1.00 63.33 C ATOM 392 O VAL A 28 10.205 3.143 18.213 1.00 75.03 O ATOM 393 CB VAL A 28 10.095 0.286 19.301 1.00 60.41 C ATOM 394 CG1 VAL A 28 9.552 1.301 20.294 1.00 12.34 C ATOM 395 CG2 VAL A 28 8.969 -0.326 18.482 1.00 73.33 C ATOM 0 H VAL A 28 12.130 2.174 19.752 1.00 31.30 H new ATOM 0 HA VAL A 28 11.491 0.197 17.659 1.00 4.31 H new ATOM 0 HB VAL A 28 10.580 -0.512 19.863 1.00 60.41 H new ATOM 0 HG11 VAL A 28 8.815 0.821 20.938 1.00 12.34 H new ATOM 0 HG12 VAL A 28 10.369 1.688 20.903 1.00 12.34 H new ATOM 0 HG13 VAL A 28 9.082 2.123 19.754 1.00 12.34 H new ATOM 0 HG21 VAL A 28 8.239 -0.783 19.151 1.00 73.33 H new ATOM 0 HG22 VAL A 28 8.484 0.452 17.892 1.00 73.33 H new ATOM 0 HG23 VAL A 28 9.376 -1.086 17.815 1.00 73.33 H new ATOM 405 N ARG A 29 10.256 1.902 16.336 1.00 51.31 N ATOM 406 CA ARG A 29 9.638 2.931 15.508 1.00 45.31 C ATOM 407 C ARG A 29 8.453 2.365 14.731 1.00 4.30 C ATOM 408 O ARG A 29 8.571 1.342 14.056 1.00 4.24 O ATOM 409 CB ARG A 29 10.665 3.519 14.537 1.00 33.43 C ATOM 410 CG ARG A 29 10.110 4.632 13.664 1.00 15.34 C ATOM 411 CD ARG A 29 9.497 4.084 12.385 1.00 44.43 C ATOM 412 NE ARG A 29 10.263 4.470 11.203 1.00 44.23 N ATOM 413 CZ ARG A 29 10.292 5.706 10.717 1.00 43.22 C ATOM 414 NH1 ARG A 29 9.602 6.671 11.309 1.00 51.03 N ATOM 415 NH2 ARG A 29 11.013 5.979 9.637 1.00 43.11 N ATOM 0 H ARG A 29 10.486 1.042 15.839 1.00 51.31 H new ATOM 0 HA ARG A 29 9.275 3.721 16.165 1.00 45.31 H new ATOM 0 HB2 ARG A 29 11.512 3.903 15.106 1.00 33.43 H new ATOM 0 HB3 ARG A 29 11.045 2.722 13.897 1.00 33.43 H new ATOM 0 HG2 ARG A 29 9.357 5.190 14.220 1.00 15.34 H new ATOM 0 HG3 ARG A 29 10.907 5.333 13.416 1.00 15.34 H new ATOM 0 HD2 ARG A 29 9.445 2.997 12.444 1.00 44.43 H new ATOM 0 HD3 ARG A 29 8.474 4.447 12.289 1.00 44.43 H new ATOM 0 HE ARG A 29 10.806 3.751 10.724 1.00 44.23 H new ATOM 0 HH11 ARG A 29 9.047 6.465 12.140 1.00 51.03 H new ATOM 0 HH12 ARG A 29 9.626 7.619 10.934 1.00 51.03 H new ATOM 0 HH21 ARG A 29 11.546 5.239 9.179 1.00 43.11 H new ATOM 0 HH22 ARG A 29 11.034 6.928 9.265 1.00 43.11 H new ATOM 429 N PHE A 30 7.311 3.038 14.831 1.00 24.53 N ATOM 430 CA PHE A 30 6.104 2.601 14.140 1.00 41.14 C ATOM 431 C PHE A 30 5.613 3.674 13.172 1.00 4.54 C ATOM 432 O PHE A 30 5.306 4.796 13.577 1.00 62.02 O ATOM 433 CB PHE A 30 5.004 2.268 15.150 1.00 64.42 C ATOM 434 CG PHE A 30 5.319 2.716 16.548 1.00 20.13 C ATOM 435 CD1 PHE A 30 6.123 1.945 17.373 1.00 40.44 C ATOM 436 CD2 PHE A 30 4.810 3.908 17.039 1.00 62.32 C ATOM 437 CE1 PHE A 30 6.415 2.355 18.660 1.00 11.20 C ATOM 438 CE2 PHE A 30 5.099 4.323 18.325 1.00 31.21 C ATOM 439 CZ PHE A 30 5.901 3.545 19.137 1.00 2.11 C ATOM 0 H PHE A 30 7.197 3.888 15.384 1.00 24.53 H new ATOM 0 HA PHE A 30 6.347 1.705 13.569 1.00 41.14 H new ATOM 0 HB2 PHE A 30 4.073 2.735 14.828 1.00 64.42 H new ATOM 0 HB3 PHE A 30 4.837 1.191 15.151 1.00 64.42 H new ATOM 0 HD1 PHE A 30 6.526 1.013 17.006 1.00 40.44 H new ATOM 0 HD2 PHE A 30 4.180 4.519 16.409 1.00 62.32 H new ATOM 0 HE1 PHE A 30 7.044 1.746 19.292 1.00 11.20 H new ATOM 0 HE2 PHE A 30 4.698 5.255 18.695 1.00 31.21 H new ATOM 0 HZ PHE A 30 6.126 3.867 20.143 1.00 2.11 H new ATOM 449 N ARG A 31 5.543 3.322 11.893 1.00 42.11 N ATOM 450 CA ARG A 31 5.092 4.255 10.867 1.00 30.32 C ATOM 451 C ARG A 31 3.569 4.260 10.769 1.00 2.12 C ATOM 452 O ARG A 31 2.958 3.256 10.404 1.00 35.44 O ATOM 453 CB ARG A 31 5.700 3.889 9.512 1.00 73.41 C ATOM 454 CG ARG A 31 7.183 3.565 9.577 1.00 22.41 C ATOM 455 CD ARG A 31 7.907 4.013 8.318 1.00 44.44 C ATOM 456 NE ARG A 31 9.166 3.299 8.126 1.00 65.30 N ATOM 457 CZ ARG A 31 10.049 3.605 7.181 1.00 30.25 C ATOM 458 NH1 ARG A 31 9.811 4.608 6.347 1.00 22.53 N ATOM 459 NH2 ARG A 31 11.172 2.908 7.070 1.00 24.53 N ATOM 0 H ARG A 31 5.793 2.397 11.542 1.00 42.11 H new ATOM 0 HA ARG A 31 5.424 5.254 11.148 1.00 30.32 H new ATOM 0 HB2 ARG A 31 5.167 3.030 9.104 1.00 73.41 H new ATOM 0 HB3 ARG A 31 5.548 4.717 8.820 1.00 73.41 H new ATOM 0 HG2 ARG A 31 7.625 4.053 10.445 1.00 22.41 H new ATOM 0 HG3 ARG A 31 7.316 2.492 9.712 1.00 22.41 H new ATOM 0 HD2 ARG A 31 7.263 3.852 7.453 1.00 44.44 H new ATOM 0 HD3 ARG A 31 8.103 5.084 8.374 1.00 44.44 H new ATOM 0 HE ARG A 31 9.380 2.522 8.752 1.00 65.30 H new ATOM 0 HH11 ARG A 31 8.949 5.147 6.430 1.00 22.53 H new ATOM 0 HH12 ARG A 31 10.490 4.841 5.623 1.00 22.53 H new ATOM 0 HH21 ARG A 31 11.359 2.136 7.710 1.00 24.53 H new ATOM 0 HH22 ARG A 31 11.849 3.144 6.344 1.00 24.53 H new ATOM 473 N ILE A 32 2.964 5.397 11.098 1.00 65.35 N ATOM 474 CA ILE A 32 1.514 5.532 11.046 1.00 41.31 C ATOM 475 C ILE A 32 1.072 6.222 9.760 1.00 50.41 C ATOM 476 O ILE A 32 1.765 7.098 9.244 1.00 41.43 O ATOM 477 CB ILE A 32 0.980 6.327 12.252 1.00 53.53 C ATOM 478 CG1 ILE A 32 1.306 5.598 13.556 1.00 2.15 C ATOM 479 CG2 ILE A 32 -0.520 6.544 12.121 1.00 75.04 C ATOM 480 CD1 ILE A 32 1.933 6.489 14.606 1.00 21.32 C ATOM 0 H ILE A 32 3.456 6.237 11.403 1.00 65.35 H new ATOM 0 HA ILE A 32 1.101 4.524 11.074 1.00 41.31 H new ATOM 0 HB ILE A 32 1.468 7.301 12.271 1.00 53.53 H new ATOM 0 HG12 ILE A 32 0.391 5.164 13.959 1.00 2.15 H new ATOM 0 HG13 ILE A 32 1.983 4.771 13.341 1.00 2.15 H new ATOM 0 HG21 ILE A 32 -0.883 7.107 12.981 1.00 75.04 H new ATOM 0 HG22 ILE A 32 -0.729 7.101 11.208 1.00 75.04 H new ATOM 0 HG23 ILE A 32 -1.025 5.579 12.080 1.00 75.04 H new ATOM 0 HD11 ILE A 32 2.137 5.905 15.504 1.00 21.32 H new ATOM 0 HD12 ILE A 32 2.866 6.903 14.222 1.00 21.32 H new ATOM 0 HD13 ILE A 32 1.249 7.302 14.850 1.00 21.32 H new ATOM 492 N ALA A 33 -0.088 5.822 9.249 1.00 43.33 N ATOM 493 CA ALA A 33 -0.625 6.405 8.025 1.00 22.32 C ATOM 494 C ALA A 33 -0.929 7.887 8.211 1.00 52.44 C ATOM 495 O ALA A 33 -1.283 8.326 9.305 1.00 2.12 O ATOM 496 CB ALA A 33 -1.877 5.657 7.590 1.00 4.22 C ATOM 0 H ALA A 33 -0.674 5.097 9.663 1.00 43.33 H new ATOM 0 HA ALA A 33 0.130 6.311 7.245 1.00 22.32 H new ATOM 0 HB1 ALA A 33 -2.268 6.103 6.675 1.00 4.22 H new ATOM 0 HB2 ALA A 33 -1.631 4.611 7.408 1.00 4.22 H new ATOM 0 HB3 ALA A 33 -2.630 5.721 8.375 1.00 4.22 H new ATOM 502 N ASP A 34 -0.789 8.654 7.135 1.00 41.20 N ATOM 503 CA ASP A 34 -1.049 10.088 7.179 1.00 14.42 C ATOM 504 C ASP A 34 -2.488 10.367 7.605 1.00 24.40 C ATOM 505 O ASP A 34 -2.814 11.469 8.044 1.00 63.24 O ATOM 506 CB ASP A 34 -0.778 10.720 5.813 1.00 4.11 C ATOM 507 CG ASP A 34 -0.109 12.076 5.925 1.00 65.11 C ATOM 508 OD1 ASP A 34 -0.710 12.986 6.533 1.00 40.44 O ATOM 509 OD2 ASP A 34 1.017 12.226 5.406 1.00 51.25 O ATOM 0 H ASP A 34 -0.497 8.306 6.222 1.00 41.20 H new ATOM 0 HA ASP A 34 -0.378 10.531 7.915 1.00 14.42 H new ATOM 0 HB2 ASP A 34 -0.146 10.053 5.227 1.00 4.11 H new ATOM 0 HB3 ASP A 34 -1.718 10.826 5.272 1.00 4.11 H new ATOM 514 N GLY A 35 -3.345 9.359 7.471 1.00 23.23 N ATOM 515 CA GLY A 35 -4.738 9.516 7.845 1.00 32.42 C ATOM 516 C GLY A 35 -5.008 9.079 9.272 1.00 53.35 C ATOM 517 O GLY A 35 -6.157 9.056 9.714 1.00 51.30 O ATOM 0 H GLY A 35 -3.099 8.437 7.110 1.00 23.23 H new ATOM 0 HA2 GLY A 35 -5.027 10.560 7.727 1.00 32.42 H new ATOM 0 HA3 GLY A 35 -5.361 8.934 7.166 1.00 32.42 H new ATOM 521 N TYR A 36 -3.949 8.731 9.993 1.00 64.14 N ATOM 522 CA TYR A 36 -4.077 8.289 11.376 1.00 32.11 C ATOM 523 C TYR A 36 -3.068 9.001 12.272 1.00 40.05 C ATOM 524 O TYR A 36 -2.045 9.499 11.800 1.00 33.11 O ATOM 525 CB TYR A 36 -3.880 6.775 11.470 1.00 33.03 C ATOM 526 CG TYR A 36 -5.052 5.978 10.942 1.00 24.01 C ATOM 527 CD1 TYR A 36 -6.328 6.152 11.463 1.00 4.14 C ATOM 528 CD2 TYR A 36 -4.882 5.051 9.921 1.00 52.34 C ATOM 529 CE1 TYR A 36 -7.400 5.425 10.984 1.00 13.53 C ATOM 530 CE2 TYR A 36 -5.949 4.321 9.434 1.00 15.22 C ATOM 531 CZ TYR A 36 -7.206 4.512 9.970 1.00 73.54 C ATOM 532 OH TYR A 36 -8.273 3.787 9.489 1.00 64.24 O ATOM 0 H TYR A 36 -2.991 8.746 9.642 1.00 64.14 H new ATOM 0 HA TYR A 36 -5.081 8.540 11.719 1.00 32.11 H new ATOM 0 HB2 TYR A 36 -2.984 6.498 10.915 1.00 33.03 H new ATOM 0 HB3 TYR A 36 -3.706 6.504 12.511 1.00 33.03 H new ATOM 0 HD1 TYR A 36 -6.484 6.868 12.256 1.00 4.14 H new ATOM 0 HD2 TYR A 36 -3.899 4.899 9.501 1.00 52.34 H new ATOM 0 HE1 TYR A 36 -8.385 5.571 11.402 1.00 13.53 H new ATOM 0 HE2 TYR A 36 -5.800 3.605 8.639 1.00 15.22 H new ATOM 0 HH TYR A 36 -7.986 3.257 8.716 1.00 64.24 H new ATOM 542 N TYR A 37 -3.363 9.045 13.566 1.00 71.41 N ATOM 543 CA TYR A 37 -2.484 9.697 14.529 1.00 63.22 C ATOM 544 C TYR A 37 -2.685 9.121 15.927 1.00 25.13 C ATOM 545 O TYR A 37 -3.815 8.928 16.375 1.00 44.04 O ATOM 546 CB TYR A 37 -2.739 11.205 14.545 1.00 72.23 C ATOM 547 CG TYR A 37 -4.133 11.578 14.997 1.00 3.13 C ATOM 548 CD1 TYR A 37 -4.422 11.759 16.344 1.00 24.34 C ATOM 549 CD2 TYR A 37 -5.161 11.749 14.078 1.00 4.34 C ATOM 550 CE1 TYR A 37 -5.693 12.099 16.763 1.00 54.11 C ATOM 551 CE2 TYR A 37 -6.435 12.091 14.488 1.00 40.14 C ATOM 552 CZ TYR A 37 -6.696 12.265 15.831 1.00 75.33 C ATOM 553 OH TYR A 37 -7.965 12.604 16.242 1.00 20.25 O ATOM 0 H TYR A 37 -4.205 8.637 13.973 1.00 71.41 H new ATOM 0 HA TYR A 37 -1.454 9.513 14.225 1.00 63.22 H new ATOM 0 HB2 TYR A 37 -2.013 11.681 15.204 1.00 72.23 H new ATOM 0 HB3 TYR A 37 -2.571 11.604 13.545 1.00 72.23 H new ATOM 0 HD1 TYR A 37 -3.639 11.631 17.076 1.00 24.34 H new ATOM 0 HD2 TYR A 37 -4.961 11.612 13.026 1.00 4.34 H new ATOM 0 HE1 TYR A 37 -5.900 12.234 17.814 1.00 54.11 H new ATOM 0 HE2 TYR A 37 -7.223 12.221 13.761 1.00 40.14 H new ATOM 0 HH TYR A 37 -8.487 12.913 15.472 1.00 20.25 H new ATOM 563 N MET A 38 -1.579 8.849 16.613 1.00 43.25 N ATOM 564 CA MET A 38 -1.632 8.297 17.961 1.00 12.12 C ATOM 565 C MET A 38 -1.130 9.311 18.984 1.00 13.31 C ATOM 566 O MET A 38 -0.179 10.049 18.725 1.00 14.45 O ATOM 567 CB MET A 38 -0.799 7.016 18.044 1.00 14.45 C ATOM 568 CG MET A 38 -1.573 5.763 17.667 1.00 5.21 C ATOM 569 SD MET A 38 -0.674 4.716 16.506 1.00 30.04 S ATOM 570 CE MET A 38 0.946 4.679 17.269 1.00 64.44 C ATOM 0 H MET A 38 -0.636 9.002 16.257 1.00 43.25 H new ATOM 0 HA MET A 38 -2.671 8.061 18.189 1.00 12.12 H new ATOM 0 HB2 MET A 38 0.065 7.111 17.387 1.00 14.45 H new ATOM 0 HB3 MET A 38 -0.417 6.906 19.059 1.00 14.45 H new ATOM 0 HG2 MET A 38 -1.795 5.192 18.569 1.00 5.21 H new ATOM 0 HG3 MET A 38 -2.529 6.049 17.228 1.00 5.21 H new ATOM 0 HE1 MET A 38 1.603 4.025 16.696 1.00 64.44 H new ATOM 0 HE2 MET A 38 1.362 5.686 17.288 1.00 64.44 H new ATOM 0 HE3 MET A 38 0.860 4.303 18.288 1.00 64.44 H new ATOM 580 N TYR A 39 -1.775 9.342 20.145 1.00 1.31 N ATOM 581 CA TYR A 39 -1.395 10.268 21.206 1.00 52.04 C ATOM 582 C TYR A 39 -0.190 9.744 21.981 1.00 73.22 C ATOM 583 O TYR A 39 -0.141 8.572 22.353 1.00 21.11 O ATOM 584 CB TYR A 39 -2.570 10.494 22.159 1.00 61.11 C ATOM 585 CG TYR A 39 -3.900 10.641 21.456 1.00 55.41 C ATOM 586 CD1 TYR A 39 -4.340 11.882 21.010 1.00 24.15 C ATOM 587 CD2 TYR A 39 -4.718 9.540 21.236 1.00 31.53 C ATOM 588 CE1 TYR A 39 -5.555 12.021 20.369 1.00 42.25 C ATOM 589 CE2 TYR A 39 -5.934 9.669 20.594 1.00 52.21 C ATOM 590 CZ TYR A 39 -6.348 10.912 20.162 1.00 14.04 C ATOM 591 OH TYR A 39 -7.559 11.046 19.522 1.00 41.40 O ATOM 0 H TYR A 39 -2.563 8.737 20.375 1.00 1.31 H new ATOM 0 HA TYR A 39 -1.122 11.217 20.745 1.00 52.04 H new ATOM 0 HB2 TYR A 39 -2.627 9.658 22.856 1.00 61.11 H new ATOM 0 HB3 TYR A 39 -2.380 11.390 22.750 1.00 61.11 H new ATOM 0 HD1 TYR A 39 -3.721 12.753 21.168 1.00 24.15 H new ATOM 0 HD2 TYR A 39 -4.397 8.565 21.573 1.00 31.53 H new ATOM 0 HE1 TYR A 39 -5.883 12.993 20.031 1.00 42.25 H new ATOM 0 HE2 TYR A 39 -6.557 8.802 20.431 1.00 52.21 H new ATOM 0 HH TYR A 39 -7.408 11.272 18.580 1.00 41.40 H new ATOM 601 N GLN A 40 0.779 10.622 22.220 1.00 34.31 N ATOM 602 CA GLN A 40 1.984 10.248 22.951 1.00 52.11 C ATOM 603 C GLN A 40 1.632 9.557 24.264 1.00 70.30 C ATOM 604 O GLN A 40 2.316 8.627 24.690 1.00 61.44 O ATOM 605 CB GLN A 40 2.843 11.484 23.226 1.00 73.35 C ATOM 606 CG GLN A 40 4.296 11.159 23.533 1.00 74.35 C ATOM 607 CD GLN A 40 5.242 12.266 23.114 1.00 4.31 C ATOM 608 OE1 GLN A 40 5.630 12.361 21.949 1.00 34.41 O ATOM 609 NE2 GLN A 40 5.621 13.113 24.065 1.00 72.32 N ATOM 0 H GLN A 40 0.753 11.596 21.918 1.00 34.31 H new ATOM 0 HA GLN A 40 2.550 9.550 22.335 1.00 52.11 H new ATOM 0 HB2 GLN A 40 2.802 12.145 22.360 1.00 73.35 H new ATOM 0 HB3 GLN A 40 2.417 12.033 24.066 1.00 73.35 H new ATOM 0 HG2 GLN A 40 4.406 10.978 24.602 1.00 74.35 H new ATOM 0 HG3 GLN A 40 4.574 10.236 23.023 1.00 74.35 H new ATOM 0 HE21 GLN A 40 5.275 12.998 25.018 1.00 72.32 H new ATOM 0 HE22 GLN A 40 6.257 13.878 23.842 1.00 72.32 H new ATOM 618 N ALA A 41 0.561 10.018 24.901 1.00 31.04 N ATOM 619 CA ALA A 41 0.118 9.443 26.165 1.00 35.12 C ATOM 620 C ALA A 41 -0.538 8.083 25.950 1.00 53.24 C ATOM 621 O ALA A 41 -0.475 7.208 26.813 1.00 62.53 O ATOM 622 CB ALA A 41 -0.845 10.390 26.867 1.00 24.32 C ATOM 0 H ALA A 41 -0.016 10.788 24.563 1.00 31.04 H new ATOM 0 HA ALA A 41 0.994 9.299 26.797 1.00 35.12 H new ATOM 0 HB1 ALA A 41 -1.168 9.948 27.810 1.00 24.32 H new ATOM 0 HB2 ALA A 41 -0.344 11.338 27.064 1.00 24.32 H new ATOM 0 HB3 ALA A 41 -1.713 10.563 26.231 1.00 24.32 H new ATOM 628 N LYS A 42 -1.169 7.913 24.793 1.00 72.33 N ATOM 629 CA LYS A 42 -1.837 6.659 24.462 1.00 1.33 C ATOM 630 C LYS A 42 -0.822 5.586 24.080 1.00 12.51 C ATOM 631 O LYS A 42 -0.995 4.411 24.405 1.00 55.50 O ATOM 632 CB LYS A 42 -2.827 6.872 23.315 1.00 42.13 C ATOM 633 CG LYS A 42 -4.246 7.148 23.779 1.00 12.52 C ATOM 634 CD LYS A 42 -4.343 8.473 24.518 1.00 32.42 C ATOM 635 CE LYS A 42 -5.609 8.551 25.358 1.00 71.13 C ATOM 636 NZ LYS A 42 -6.399 9.777 25.058 1.00 43.43 N ATOM 0 H LYS A 42 -1.232 8.628 24.068 1.00 72.33 H new ATOM 0 HA LYS A 42 -2.381 6.322 25.345 1.00 1.33 H new ATOM 0 HB2 LYS A 42 -2.486 7.706 22.702 1.00 42.13 H new ATOM 0 HB3 LYS A 42 -2.828 5.988 22.678 1.00 42.13 H new ATOM 0 HG2 LYS A 42 -4.915 7.160 22.919 1.00 12.52 H new ATOM 0 HG3 LYS A 42 -4.580 6.341 24.431 1.00 12.52 H new ATOM 0 HD2 LYS A 42 -3.471 8.598 25.160 1.00 32.42 H new ATOM 0 HD3 LYS A 42 -4.330 9.293 23.800 1.00 32.42 H new ATOM 0 HE2 LYS A 42 -6.223 7.669 25.173 1.00 71.13 H new ATOM 0 HE3 LYS A 42 -5.345 8.539 26.415 1.00 71.13 H new ATOM 0 HZ1 LYS A 42 -7.253 9.793 25.651 1.00 43.43 H new ATOM 0 HZ2 LYS A 42 -5.823 10.619 25.259 1.00 43.43 H new ATOM 0 HZ3 LYS A 42 -6.673 9.776 24.055 1.00 43.43 H new ATOM 650 N ILE A 43 0.236 5.998 23.390 1.00 1.54 N ATOM 651 CA ILE A 43 1.279 5.073 22.967 1.00 22.51 C ATOM 652 C ILE A 43 2.101 4.589 24.157 1.00 31.22 C ATOM 653 O ILE A 43 2.475 5.375 25.028 1.00 63.25 O ATOM 654 CB ILE A 43 2.222 5.720 21.936 1.00 61.12 C ATOM 655 CG1 ILE A 43 1.441 6.132 20.687 1.00 51.55 C ATOM 656 CG2 ILE A 43 3.347 4.762 21.572 1.00 54.13 C ATOM 657 CD1 ILE A 43 1.946 7.410 20.053 1.00 72.34 C ATOM 0 H ILE A 43 0.393 6.967 23.112 1.00 1.54 H new ATOM 0 HA ILE A 43 0.777 4.223 22.505 1.00 22.51 H new ATOM 0 HB ILE A 43 2.662 6.614 22.378 1.00 61.12 H new ATOM 0 HG12 ILE A 43 1.493 5.327 19.954 1.00 51.55 H new ATOM 0 HG13 ILE A 43 0.391 6.257 20.950 1.00 51.55 H new ATOM 0 HG21 ILE A 43 4.005 5.234 20.842 1.00 54.13 H new ATOM 0 HG22 ILE A 43 3.917 4.513 22.467 1.00 54.13 H new ATOM 0 HG23 ILE A 43 2.926 3.852 21.145 1.00 54.13 H new ATOM 0 HD11 ILE A 43 1.346 7.641 19.173 1.00 72.34 H new ATOM 0 HD12 ILE A 43 1.868 8.227 20.770 1.00 72.34 H new ATOM 0 HD13 ILE A 43 2.988 7.283 19.759 1.00 72.34 H new ATOM 669 N VAL A 44 2.380 3.289 24.188 1.00 51.43 N ATOM 670 CA VAL A 44 3.160 2.700 25.269 1.00 3.33 C ATOM 671 C VAL A 44 4.253 1.787 24.724 1.00 10.54 C ATOM 672 O VAL A 44 4.134 1.247 23.625 1.00 5.35 O ATOM 673 CB VAL A 44 2.267 1.896 26.232 1.00 21.41 C ATOM 674 CG1 VAL A 44 3.012 1.590 27.522 1.00 23.04 C ATOM 675 CG2 VAL A 44 0.977 2.650 26.517 1.00 22.25 C ATOM 0 H VAL A 44 2.077 2.624 23.476 1.00 51.43 H new ATOM 0 HA VAL A 44 3.619 3.525 25.814 1.00 3.33 H new ATOM 0 HB VAL A 44 2.010 0.949 25.756 1.00 21.41 H new ATOM 0 HG11 VAL A 44 2.365 1.021 28.190 1.00 23.04 H new ATOM 0 HG12 VAL A 44 3.904 1.006 27.297 1.00 23.04 H new ATOM 0 HG13 VAL A 44 3.302 2.523 28.005 1.00 23.04 H new ATOM 0 HG21 VAL A 44 0.358 2.067 27.199 1.00 22.25 H new ATOM 0 HG22 VAL A 44 1.211 3.613 26.972 1.00 22.25 H new ATOM 0 HG23 VAL A 44 0.436 2.811 25.584 1.00 22.25 H new ATOM 685 N GLY A 45 5.318 1.619 25.502 1.00 44.20 N ATOM 686 CA GLY A 45 6.418 0.770 25.081 1.00 54.43 C ATOM 687 C GLY A 45 7.441 0.559 26.179 1.00 52.01 C ATOM 688 O GLY A 45 8.162 1.484 26.553 1.00 52.20 O ATOM 0 H GLY A 45 5.439 2.055 26.416 1.00 44.20 H new ATOM 0 HA2 GLY A 45 6.026 -0.196 24.763 1.00 54.43 H new ATOM 0 HA3 GLY A 45 6.906 1.216 24.215 1.00 54.43 H new ATOM 692 N LYS A 46 7.504 -0.662 26.699 1.00 2.12 N ATOM 693 CA LYS A 46 8.446 -0.993 27.762 1.00 60.42 C ATOM 694 C LYS A 46 9.067 -2.367 27.530 1.00 71.15 C ATOM 695 O LYS A 46 8.369 -3.330 27.208 1.00 10.33 O ATOM 696 CB LYS A 46 7.744 -0.962 29.121 1.00 22.44 C ATOM 697 CG LYS A 46 8.656 -1.314 30.284 1.00 34.04 C ATOM 698 CD LYS A 46 8.160 -2.542 31.030 1.00 61.14 C ATOM 699 CE LYS A 46 8.132 -3.767 30.129 1.00 71.14 C ATOM 700 NZ LYS A 46 7.671 -4.981 30.857 1.00 34.13 N ATOM 0 H LYS A 46 6.914 -1.439 26.402 1.00 2.12 H new ATOM 0 HA LYS A 46 9.242 -0.248 27.754 1.00 60.42 H new ATOM 0 HB2 LYS A 46 7.329 0.033 29.284 1.00 22.44 H new ATOM 0 HB3 LYS A 46 6.906 -1.658 29.104 1.00 22.44 H new ATOM 0 HG2 LYS A 46 9.665 -1.495 29.914 1.00 34.04 H new ATOM 0 HG3 LYS A 46 8.715 -0.469 30.970 1.00 34.04 H new ATOM 0 HD2 LYS A 46 8.806 -2.734 31.887 1.00 61.14 H new ATOM 0 HD3 LYS A 46 7.160 -2.353 31.420 1.00 61.14 H new ATOM 0 HE2 LYS A 46 7.472 -3.579 29.282 1.00 71.14 H new ATOM 0 HE3 LYS A 46 9.129 -3.943 29.724 1.00 71.14 H new ATOM 0 HZ1 LYS A 46 8.357 -5.750 30.718 1.00 34.13 H new ATOM 0 HZ2 LYS A 46 7.591 -4.768 31.872 1.00 34.13 H new ATOM 0 HZ3 LYS A 46 6.743 -5.274 30.490 1.00 34.13 H new ATOM 714 N THR A 47 10.383 -2.452 27.695 1.00 23.53 N ATOM 715 CA THR A 47 11.098 -3.708 27.504 1.00 31.22 C ATOM 716 C THR A 47 12.071 -3.967 28.648 1.00 3.55 C ATOM 717 O THR A 47 12.856 -3.094 29.017 1.00 43.12 O ATOM 718 CB THR A 47 11.874 -3.716 26.174 1.00 72.15 C ATOM 719 OG1 THR A 47 12.533 -4.975 25.998 1.00 34.21 O ATOM 720 CG2 THR A 47 12.899 -2.592 26.138 1.00 33.41 C ATOM 0 H THR A 47 10.976 -1.666 27.961 1.00 23.53 H new ATOM 0 HA THR A 47 10.347 -4.498 27.483 1.00 31.22 H new ATOM 0 HB THR A 47 11.162 -3.563 25.363 1.00 72.15 H new ATOM 0 HG1 THR A 47 13.439 -4.924 26.367 1.00 34.21 H new ATOM 0 HG21 THR A 47 13.434 -2.618 25.189 1.00 33.41 H new ATOM 0 HG22 THR A 47 12.391 -1.633 26.242 1.00 33.41 H new ATOM 0 HG23 THR A 47 13.607 -2.718 26.957 1.00 33.41 H new ATOM 728 N ASN A 48 12.015 -5.171 29.207 1.00 72.43 N ATOM 729 CA ASN A 48 12.893 -5.544 30.310 1.00 35.50 C ATOM 730 C ASN A 48 12.580 -6.955 30.801 1.00 15.42 C ATOM 731 O ASN A 48 11.499 -7.495 30.566 1.00 72.24 O ATOM 732 CB ASN A 48 12.750 -4.548 31.462 1.00 10.30 C ATOM 733 CG ASN A 48 11.336 -4.016 31.595 1.00 31.31 C ATOM 734 OD1 ASN A 48 11.025 -2.922 31.124 1.00 62.22 O ATOM 735 ND2 ASN A 48 10.471 -4.791 32.240 1.00 42.21 N ATOM 0 H ASN A 48 11.371 -5.905 28.914 1.00 72.43 H new ATOM 0 HA ASN A 48 13.920 -5.524 29.947 1.00 35.50 H new ATOM 0 HB2 ASN A 48 13.043 -5.031 32.394 1.00 10.30 H new ATOM 0 HB3 ASN A 48 13.435 -3.715 31.306 1.00 10.30 H new ATOM 0 HD21 ASN A 48 9.505 -4.486 32.361 1.00 42.21 H new ATOM 0 HD22 ASN A 48 10.773 -5.691 32.614 1.00 42.21 H new ATOM 742 N PRO A 49 13.547 -7.566 31.501 1.00 12.43 N ATOM 743 CA PRO A 49 13.398 -8.920 32.042 1.00 71.25 C ATOM 744 C PRO A 49 12.395 -8.980 33.188 1.00 13.14 C ATOM 745 O PRO A 49 12.002 -10.061 33.626 1.00 0.22 O ATOM 746 CB PRO A 49 14.804 -9.259 32.543 1.00 40.31 C ATOM 747 CG PRO A 49 15.432 -7.938 32.828 1.00 25.43 C ATOM 748 CD PRO A 49 14.860 -6.981 31.820 1.00 2.20 C ATOM 0 HA PRO A 49 13.017 -9.617 31.295 1.00 71.25 H new ATOM 0 HB2 PRO A 49 14.767 -9.881 33.437 1.00 40.31 H new ATOM 0 HB3 PRO A 49 15.369 -9.813 31.793 1.00 40.31 H new ATOM 0 HG2 PRO A 49 15.211 -7.612 33.844 1.00 25.43 H new ATOM 0 HG3 PRO A 49 16.517 -7.995 32.740 1.00 25.43 H new ATOM 0 HD2 PRO A 49 14.763 -5.976 32.230 1.00 2.20 H new ATOM 0 HD3 PRO A 49 15.492 -6.905 30.935 1.00 2.20 H new ATOM 756 N ALA A 50 11.984 -7.812 33.670 1.00 14.53 N ATOM 757 CA ALA A 50 11.024 -7.732 34.765 1.00 41.44 C ATOM 758 C ALA A 50 10.699 -6.281 35.105 1.00 71.13 C ATOM 759 O ALA A 50 9.531 -5.899 35.182 1.00 2.45 O ATOM 760 CB ALA A 50 11.560 -8.456 35.991 1.00 42.34 C ATOM 0 H ALA A 50 12.301 -6.908 33.320 1.00 14.53 H new ATOM 0 HA ALA A 50 10.103 -8.218 34.444 1.00 41.44 H new ATOM 0 HB1 ALA A 50 10.833 -8.388 36.800 1.00 42.34 H new ATOM 0 HB2 ALA A 50 11.735 -9.504 35.747 1.00 42.34 H new ATOM 0 HB3 ALA A 50 12.497 -7.995 36.305 1.00 42.34 H new ATOM 766 N ASP A 51 11.738 -5.479 35.307 1.00 51.41 N ATOM 767 CA ASP A 51 11.563 -4.069 35.639 1.00 75.44 C ATOM 768 C ASP A 51 12.911 -3.391 35.860 1.00 70.30 C ATOM 769 O ASP A 51 13.061 -2.563 36.759 1.00 41.41 O ATOM 770 CB ASP A 51 10.692 -3.922 36.888 1.00 43.02 C ATOM 771 CG ASP A 51 9.620 -2.862 36.725 1.00 63.52 C ATOM 772 OD1 ASP A 51 9.835 -1.918 35.937 1.00 4.44 O ATOM 773 OD2 ASP A 51 8.566 -2.978 37.385 1.00 4.33 O ATOM 0 H ASP A 51 12.711 -5.780 35.247 1.00 51.41 H new ATOM 0 HA ASP A 51 11.066 -3.582 34.800 1.00 75.44 H new ATOM 0 HB2 ASP A 51 10.221 -4.879 37.114 1.00 43.02 H new ATOM 0 HB3 ASP A 51 11.323 -3.668 37.740 1.00 43.02 H new ATOM 778 N LEU A 52 13.890 -3.749 35.036 1.00 75.01 N ATOM 779 CA LEU A 52 15.227 -3.176 35.142 1.00 51.11 C ATOM 780 C LEU A 52 15.363 -1.943 34.254 1.00 71.21 C ATOM 781 O LEU A 52 15.969 -0.946 34.647 1.00 45.42 O ATOM 782 CB LEU A 52 16.281 -4.215 34.756 1.00 74.42 C ATOM 783 CG LEU A 52 16.502 -5.350 35.757 1.00 45.14 C ATOM 784 CD1 LEU A 52 17.537 -6.332 35.229 1.00 34.42 C ATOM 785 CD2 LEU A 52 16.932 -4.794 37.106 1.00 20.05 C ATOM 0 H LEU A 52 13.783 -4.433 34.287 1.00 75.01 H new ATOM 0 HA LEU A 52 15.385 -2.875 36.178 1.00 51.11 H new ATOM 0 HB2 LEU A 52 15.998 -4.652 33.798 1.00 74.42 H new ATOM 0 HB3 LEU A 52 17.230 -3.701 34.604 1.00 74.42 H new ATOM 0 HG LEU A 52 15.560 -5.882 35.889 1.00 45.14 H new ATOM 0 HD11 LEU A 52 17.682 -7.133 35.954 1.00 34.42 H new ATOM 0 HD12 LEU A 52 17.190 -6.754 34.286 1.00 34.42 H new ATOM 0 HD13 LEU A 52 18.482 -5.813 35.068 1.00 34.42 H new ATOM 0 HD21 LEU A 52 17.085 -5.615 37.806 1.00 20.05 H new ATOM 0 HD22 LEU A 52 17.862 -4.238 36.991 1.00 20.05 H new ATOM 0 HD23 LEU A 52 16.157 -4.130 37.489 1.00 20.05 H new ATOM 797 N LEU A 53 14.793 -2.018 33.056 1.00 2.42 N ATOM 798 CA LEU A 53 14.849 -0.907 32.112 1.00 14.43 C ATOM 799 C LEU A 53 14.409 0.394 32.776 1.00 0.42 C ATOM 800 O LEU A 53 13.495 0.405 33.599 1.00 14.32 O ATOM 801 CB LEU A 53 13.963 -1.198 30.899 1.00 5.22 C ATOM 802 CG LEU A 53 13.813 -0.059 29.890 1.00 72.35 C ATOM 803 CD1 LEU A 53 14.625 -0.346 28.636 1.00 32.42 C ATOM 804 CD2 LEU A 53 12.347 0.153 29.540 1.00 10.45 C ATOM 0 H LEU A 53 14.287 -2.836 32.716 1.00 2.42 H new ATOM 0 HA LEU A 53 15.882 -0.794 31.782 1.00 14.43 H new ATOM 0 HB2 LEU A 53 14.367 -2.067 30.379 1.00 5.22 H new ATOM 0 HB3 LEU A 53 12.971 -1.473 31.256 1.00 5.22 H new ATOM 0 HG LEU A 53 14.194 0.856 30.344 1.00 72.35 H new ATOM 0 HD11 LEU A 53 14.506 0.475 27.929 1.00 32.42 H new ATOM 0 HD12 LEU A 53 15.678 -0.448 28.900 1.00 32.42 H new ATOM 0 HD13 LEU A 53 14.274 -1.271 28.179 1.00 32.42 H new ATOM 0 HD21 LEU A 53 12.259 0.967 28.821 1.00 10.45 H new ATOM 0 HD22 LEU A 53 11.941 -0.760 29.106 1.00 10.45 H new ATOM 0 HD23 LEU A 53 11.790 0.404 30.443 1.00 10.45 H new ATOM 816 N GLY A 54 15.066 1.491 32.411 1.00 41.14 N ATOM 817 CA GLY A 54 14.728 2.783 32.979 1.00 74.22 C ATOM 818 C GLY A 54 13.337 3.242 32.587 1.00 2.10 C ATOM 819 O GLY A 54 12.341 2.731 33.099 1.00 44.23 O ATOM 0 H GLY A 54 15.827 1.508 31.732 1.00 41.14 H new ATOM 0 HA2 GLY A 54 14.797 2.728 34.065 1.00 74.22 H new ATOM 0 HA3 GLY A 54 15.458 3.523 32.651 1.00 74.22 H new ATOM 823 N GLN A 55 13.269 4.210 31.678 1.00 25.24 N ATOM 824 CA GLN A 55 11.990 4.739 31.221 1.00 42.11 C ATOM 825 C GLN A 55 12.009 4.984 29.716 1.00 64.24 C ATOM 826 O GLN A 55 13.064 5.154 29.103 1.00 32.21 O ATOM 827 CB GLN A 55 11.660 6.039 31.957 1.00 75.23 C ATOM 828 CG GLN A 55 11.219 5.828 33.396 1.00 20.22 C ATOM 829 CD GLN A 55 10.978 7.132 34.130 1.00 51.20 C ATOM 830 OE1 GLN A 55 10.408 8.073 33.577 1.00 74.14 O ATOM 831 NE2 GLN A 55 11.412 7.196 35.383 1.00 31.23 N ATOM 0 H GLN A 55 14.084 4.643 31.244 1.00 25.24 H new ATOM 0 HA GLN A 55 11.220 4.000 31.441 1.00 42.11 H new ATOM 0 HB2 GLN A 55 12.537 6.686 31.946 1.00 75.23 H new ATOM 0 HB3 GLN A 55 10.871 6.562 31.417 1.00 75.23 H new ATOM 0 HG2 GLN A 55 10.305 5.234 33.408 1.00 20.22 H new ATOM 0 HG3 GLN A 55 11.980 5.253 33.924 1.00 20.22 H new ATOM 0 HE21 GLN A 55 11.879 6.392 35.802 1.00 31.23 H new ATOM 0 HE22 GLN A 55 11.278 8.049 35.926 1.00 31.23 H new ATOM 840 N PRO A 56 10.816 5.002 29.103 1.00 1.24 N ATOM 841 CA PRO A 56 10.669 5.226 27.662 1.00 23.31 C ATOM 842 C PRO A 56 11.007 6.657 27.260 1.00 44.11 C ATOM 843 O PRO A 56 10.690 7.605 27.978 1.00 1.12 O ATOM 844 CB PRO A 56 9.188 4.934 27.407 1.00 44.20 C ATOM 845 CG PRO A 56 8.521 5.192 28.714 1.00 40.13 C ATOM 846 CD PRO A 56 9.518 4.807 29.771 1.00 23.11 C ATOM 0 HA PRO A 56 11.347 4.601 27.081 1.00 23.31 H new ATOM 0 HB2 PRO A 56 8.787 5.577 26.624 1.00 44.20 H new ATOM 0 HB3 PRO A 56 9.038 3.904 27.082 1.00 44.20 H new ATOM 0 HG2 PRO A 56 8.238 6.241 28.808 1.00 40.13 H new ATOM 0 HG3 PRO A 56 7.607 4.606 28.808 1.00 40.13 H new ATOM 0 HD2 PRO A 56 9.425 5.433 30.658 1.00 23.11 H new ATOM 0 HD3 PRO A 56 9.383 3.775 30.094 1.00 23.11 H new ATOM 854 N SER A 57 11.653 6.807 26.107 1.00 34.55 N ATOM 855 CA SER A 57 12.037 8.123 25.612 1.00 72.15 C ATOM 856 C SER A 57 11.416 8.391 24.244 1.00 74.30 C ATOM 857 O SER A 57 12.048 8.178 23.209 1.00 23.35 O ATOM 858 CB SER A 57 13.560 8.233 25.523 1.00 41.32 C ATOM 859 OG SER A 57 14.085 8.945 26.630 1.00 42.11 O ATOM 0 H SER A 57 11.921 6.033 25.499 1.00 34.55 H new ATOM 0 HA SER A 57 11.666 8.870 26.313 1.00 72.15 H new ATOM 0 HB2 SER A 57 13.998 7.236 25.487 1.00 41.32 H new ATOM 0 HB3 SER A 57 13.838 8.737 24.597 1.00 41.32 H new ATOM 0 HG SER A 57 15.060 9.000 26.551 1.00 42.11 H new ATOM 865 N PHE A 58 10.172 8.859 24.248 1.00 41.34 N ATOM 866 CA PHE A 58 9.463 9.156 23.008 1.00 23.11 C ATOM 867 C PHE A 58 10.296 10.066 22.110 1.00 14.41 C ATOM 868 O PHE A 58 11.121 10.844 22.590 1.00 71.51 O ATOM 869 CB PHE A 58 8.115 9.814 23.311 1.00 25.53 C ATOM 870 CG PHE A 58 7.313 9.085 24.351 1.00 22.40 C ATOM 871 CD1 PHE A 58 7.268 7.700 24.366 1.00 64.14 C ATOM 872 CD2 PHE A 58 6.603 9.784 25.314 1.00 43.34 C ATOM 873 CE1 PHE A 58 6.531 7.026 25.321 1.00 24.02 C ATOM 874 CE2 PHE A 58 5.865 9.116 26.272 1.00 60.12 C ATOM 875 CZ PHE A 58 5.828 7.735 26.275 1.00 50.11 C ATOM 0 H PHE A 58 9.634 9.041 25.095 1.00 41.34 H new ATOM 0 HA PHE A 58 9.291 8.216 22.483 1.00 23.11 H new ATOM 0 HB2 PHE A 58 8.286 10.837 23.647 1.00 25.53 H new ATOM 0 HB3 PHE A 58 7.534 9.873 22.391 1.00 25.53 H new ATOM 0 HD1 PHE A 58 7.816 7.141 23.622 1.00 64.14 H new ATOM 0 HD2 PHE A 58 6.627 10.864 25.316 1.00 43.34 H new ATOM 0 HE1 PHE A 58 6.505 5.946 25.321 1.00 24.02 H new ATOM 0 HE2 PHE A 58 5.317 9.673 27.018 1.00 60.12 H new ATOM 0 HZ PHE A 58 5.250 7.211 27.022 1.00 50.11 H new ATOM 885 N SER A 59 10.073 9.963 20.804 1.00 53.43 N ATOM 886 CA SER A 59 10.804 10.774 19.837 1.00 25.12 C ATOM 887 C SER A 59 10.253 12.196 19.792 1.00 20.34 C ATOM 888 O SER A 59 10.767 13.051 19.071 1.00 13.33 O ATOM 889 CB SER A 59 10.727 10.141 18.447 1.00 63.34 C ATOM 890 OG SER A 59 11.432 10.916 17.493 1.00 5.42 O ATOM 0 H SER A 59 9.392 9.326 20.391 1.00 53.43 H new ATOM 0 HA SER A 59 11.847 10.817 20.152 1.00 25.12 H new ATOM 0 HB2 SER A 59 11.142 9.134 18.480 1.00 63.34 H new ATOM 0 HB3 SER A 59 9.684 10.047 18.144 1.00 63.34 H new ATOM 0 HG SER A 59 11.379 11.863 17.738 1.00 5.42 H new ATOM 896 N LYS A 60 9.203 12.441 20.569 1.00 71.14 N ATOM 897 CA LYS A 60 8.580 13.758 20.621 1.00 42.35 C ATOM 898 C LYS A 60 7.940 14.110 19.282 1.00 54.42 C ATOM 899 O LYS A 60 8.625 14.230 18.267 1.00 72.40 O ATOM 900 CB LYS A 60 9.616 14.820 20.997 1.00 11.14 C ATOM 901 CG LYS A 60 9.341 15.492 22.332 1.00 74.34 C ATOM 902 CD LYS A 60 8.159 16.442 22.244 1.00 55.51 C ATOM 903 CE LYS A 60 7.397 16.507 23.559 1.00 53.32 C ATOM 904 NZ LYS A 60 7.302 17.900 24.077 1.00 2.10 N ATOM 0 H LYS A 60 8.766 11.744 21.172 1.00 71.14 H new ATOM 0 HA LYS A 60 7.800 13.734 21.382 1.00 42.35 H new ATOM 0 HB2 LYS A 60 10.603 14.358 21.029 1.00 11.14 H new ATOM 0 HB3 LYS A 60 9.645 15.580 20.216 1.00 11.14 H new ATOM 0 HG2 LYS A 60 9.143 14.733 23.089 1.00 74.34 H new ATOM 0 HG3 LYS A 60 10.226 16.040 22.654 1.00 74.34 H new ATOM 0 HD2 LYS A 60 8.511 17.438 21.977 1.00 55.51 H new ATOM 0 HD3 LYS A 60 7.488 16.117 21.449 1.00 55.51 H new ATOM 0 HE2 LYS A 60 6.395 16.103 23.418 1.00 53.32 H new ATOM 0 HE3 LYS A 60 7.893 15.878 24.298 1.00 53.32 H new ATOM 0 HZ1 LYS A 60 6.776 17.902 24.974 1.00 2.10 H new ATOM 0 HZ2 LYS A 60 8.258 18.277 24.236 1.00 2.10 H new ATOM 0 HZ3 LYS A 60 6.806 18.495 23.383 1.00 2.10 H new ATOM 918 N GLY A 61 6.620 14.277 19.287 1.00 4.25 N ATOM 919 CA GLY A 61 5.910 14.615 18.068 1.00 42.50 C ATOM 920 C GLY A 61 5.482 16.069 18.031 1.00 51.13 C ATOM 921 O GLY A 61 6.268 16.962 18.344 1.00 1.15 O ATOM 0 H GLY A 61 6.031 14.184 20.114 1.00 4.25 H new ATOM 0 HA2 GLY A 61 6.548 14.405 17.209 1.00 42.50 H new ATOM 0 HA3 GLY A 61 5.030 13.978 17.975 1.00 42.50 H new ATOM 925 N GLU A 62 4.232 16.307 17.644 1.00 22.53 N ATOM 926 CA GLU A 62 3.703 17.663 17.565 1.00 73.22 C ATOM 927 C GLU A 62 2.557 17.859 18.554 1.00 63.51 C ATOM 928 O GLU A 62 1.740 16.962 18.757 1.00 31.53 O ATOM 929 CB GLU A 62 3.221 17.964 16.144 1.00 61.41 C ATOM 930 CG GLU A 62 3.981 19.094 15.470 1.00 31.12 C ATOM 931 CD GLU A 62 3.294 19.591 14.213 1.00 35.03 C ATOM 932 OE1 GLU A 62 2.082 19.330 14.057 1.00 22.54 O ATOM 933 OE2 GLU A 62 3.966 20.241 13.386 1.00 61.31 O ATOM 0 H GLU A 62 3.568 15.579 17.381 1.00 22.53 H new ATOM 0 HA GLU A 62 4.505 18.354 17.823 1.00 73.22 H new ATOM 0 HB2 GLU A 62 3.315 17.062 15.539 1.00 61.41 H new ATOM 0 HB3 GLU A 62 2.161 18.218 16.175 1.00 61.41 H new ATOM 0 HG2 GLU A 62 4.091 19.922 16.171 1.00 31.12 H new ATOM 0 HG3 GLU A 62 4.985 18.753 15.220 1.00 31.12 H new ATOM 940 N GLU A 63 2.506 19.038 19.166 1.00 65.41 N ATOM 941 CA GLU A 63 1.463 19.350 20.135 1.00 54.32 C ATOM 942 C GLU A 63 0.166 19.739 19.431 1.00 74.02 C ATOM 943 O GLU A 63 0.168 20.546 18.501 1.00 71.32 O ATOM 944 CB GLU A 63 1.915 20.484 21.057 1.00 51.51 C ATOM 945 CG GLU A 63 2.361 21.732 20.313 1.00 5.04 C ATOM 946 CD GLU A 63 1.426 22.906 20.528 1.00 33.34 C ATOM 947 OE1 GLU A 63 1.118 23.213 21.699 1.00 75.12 O ATOM 948 OE2 GLU A 63 1.002 23.517 19.525 1.00 12.22 O ATOM 0 H GLU A 63 3.174 19.792 19.008 1.00 65.41 H new ATOM 0 HA GLU A 63 1.279 18.457 20.733 1.00 54.32 H new ATOM 0 HB2 GLU A 63 1.096 20.744 21.728 1.00 51.51 H new ATOM 0 HB3 GLU A 63 2.736 20.129 21.680 1.00 51.51 H new ATOM 0 HG2 GLU A 63 3.364 22.007 20.640 1.00 5.04 H new ATOM 0 HG3 GLU A 63 2.423 21.512 19.247 1.00 5.04 H new ATOM 955 N LYS A 64 -0.942 19.159 19.881 1.00 63.42 N ATOM 956 CA LYS A 64 -2.247 19.443 19.296 1.00 21.14 C ATOM 957 C LYS A 64 -3.333 19.446 20.367 1.00 75.41 C ATOM 958 O LYS A 64 -3.259 18.697 21.340 1.00 33.44 O ATOM 959 CB LYS A 64 -2.581 18.410 18.218 1.00 54.33 C ATOM 960 CG LYS A 64 -3.834 18.743 17.425 1.00 64.22 C ATOM 961 CD LYS A 64 -5.022 17.916 17.887 1.00 40.32 C ATOM 962 CE LYS A 64 -5.040 16.548 17.224 1.00 75.52 C ATOM 963 NZ LYS A 64 -6.278 16.335 16.424 1.00 53.55 N ATOM 0 H LYS A 64 -0.962 18.489 20.650 1.00 63.42 H new ATOM 0 HA LYS A 64 -2.207 20.433 18.841 1.00 21.14 H new ATOM 0 HB2 LYS A 64 -1.738 18.327 17.532 1.00 54.33 H new ATOM 0 HB3 LYS A 64 -2.707 17.434 18.688 1.00 54.33 H new ATOM 0 HG2 LYS A 64 -4.063 19.803 17.533 1.00 64.22 H new ATOM 0 HG3 LYS A 64 -3.654 18.562 16.365 1.00 64.22 H new ATOM 0 HD2 LYS A 64 -4.984 17.796 18.970 1.00 40.32 H new ATOM 0 HD3 LYS A 64 -5.947 18.445 17.657 1.00 40.32 H new ATOM 0 HE2 LYS A 64 -4.168 16.446 16.578 1.00 75.52 H new ATOM 0 HE3 LYS A 64 -4.963 15.774 17.987 1.00 75.52 H new ATOM 0 HZ1 LYS A 64 -6.252 15.391 15.988 1.00 53.55 H new ATOM 0 HZ2 LYS A 64 -7.109 16.407 17.045 1.00 53.55 H new ATOM 0 HZ3 LYS A 64 -6.339 17.058 15.679 1.00 53.55 H new ATOM 977 N GLU A 65 -4.342 20.291 20.179 1.00 44.45 N ATOM 978 CA GLU A 65 -5.443 20.390 21.129 1.00 72.42 C ATOM 979 C GLU A 65 -6.749 19.915 20.499 1.00 73.44 C ATOM 980 O GLU A 65 -7.100 20.320 19.390 1.00 25.01 O ATOM 981 CB GLU A 65 -5.596 21.831 21.620 1.00 64.31 C ATOM 982 CG GLU A 65 -6.800 22.042 22.522 1.00 4.22 C ATOM 983 CD GLU A 65 -6.978 23.493 22.927 1.00 24.41 C ATOM 984 OE1 GLU A 65 -5.956 24.195 23.080 1.00 31.22 O ATOM 985 OE2 GLU A 65 -8.137 23.925 23.091 1.00 13.42 O ATOM 0 H GLU A 65 -4.419 20.917 19.377 1.00 44.45 H new ATOM 0 HA GLU A 65 -5.214 19.747 21.979 1.00 72.42 H new ATOM 0 HB2 GLU A 65 -4.694 22.120 22.159 1.00 64.31 H new ATOM 0 HB3 GLU A 65 -5.678 22.493 20.758 1.00 64.31 H new ATOM 0 HG2 GLU A 65 -7.698 21.699 22.009 1.00 4.22 H new ATOM 0 HG3 GLU A 65 -6.691 21.430 23.417 1.00 4.22 H new ATOM 992 N ASP A 66 -7.465 19.053 21.213 1.00 62.00 N ATOM 993 CA ASP A 66 -8.733 18.522 20.725 1.00 5.41 C ATOM 994 C ASP A 66 -9.654 18.162 21.886 1.00 23.24 C ATOM 995 O ASP A 66 -9.394 18.526 23.033 1.00 41.24 O ATOM 996 CB ASP A 66 -8.491 17.293 19.848 1.00 35.43 C ATOM 997 CG ASP A 66 -9.377 17.276 18.618 1.00 13.01 C ATOM 998 OD1 ASP A 66 -9.277 18.216 17.802 1.00 1.15 O ATOM 999 OD2 ASP A 66 -10.172 16.323 18.471 1.00 2.43 O ATOM 0 H ASP A 66 -7.189 18.707 22.132 1.00 62.00 H new ATOM 0 HA ASP A 66 -9.217 19.295 20.128 1.00 5.41 H new ATOM 0 HB2 ASP A 66 -7.446 17.270 19.540 1.00 35.43 H new ATOM 0 HB3 ASP A 66 -8.670 16.391 20.434 1.00 35.43 H new ATOM 1004 N GLU A 67 -10.731 17.445 21.580 1.00 24.05 N ATOM 1005 CA GLU A 67 -11.691 17.037 22.599 1.00 1.53 C ATOM 1006 C GLU A 67 -11.602 15.537 22.861 1.00 34.31 C ATOM 1007 O GLU A 67 -12.230 15.018 23.785 1.00 42.31 O ATOM 1008 CB GLU A 67 -13.112 17.408 22.170 1.00 41.40 C ATOM 1009 CG GLU A 67 -13.445 16.996 20.746 1.00 43.00 C ATOM 1010 CD GLU A 67 -14.856 17.377 20.343 1.00 32.31 C ATOM 1011 OE1 GLU A 67 -15.810 16.779 20.884 1.00 62.23 O ATOM 1012 OE2 GLU A 67 -15.007 18.273 19.487 1.00 44.42 O ATOM 0 H GLU A 67 -10.960 17.135 20.636 1.00 24.05 H new ATOM 0 HA GLU A 67 -11.449 17.564 23.522 1.00 1.53 H new ATOM 0 HB2 GLU A 67 -13.822 16.938 22.851 1.00 41.40 H new ATOM 0 HB3 GLU A 67 -13.242 18.486 22.267 1.00 41.40 H new ATOM 0 HG2 GLU A 67 -12.737 17.463 20.062 1.00 43.00 H new ATOM 0 HG3 GLU A 67 -13.321 15.918 20.645 1.00 43.00 H new ATOM 1019 N PHE A 68 -10.819 14.844 22.041 1.00 53.13 N ATOM 1020 CA PHE A 68 -10.649 13.403 22.182 1.00 71.34 C ATOM 1021 C PHE A 68 -9.550 13.081 23.190 1.00 62.23 C ATOM 1022 O PHE A 68 -9.260 11.915 23.458 1.00 71.40 O ATOM 1023 CB PHE A 68 -10.316 12.772 20.828 1.00 43.42 C ATOM 1024 CG PHE A 68 -11.504 12.643 19.918 1.00 43.22 C ATOM 1025 CD1 PHE A 68 -12.219 13.764 19.528 1.00 73.43 C ATOM 1026 CD2 PHE A 68 -11.905 11.401 19.453 1.00 11.11 C ATOM 1027 CE1 PHE A 68 -13.313 13.648 18.690 1.00 2.31 C ATOM 1028 CE2 PHE A 68 -12.997 11.280 18.615 1.00 34.31 C ATOM 1029 CZ PHE A 68 -13.703 12.404 18.234 1.00 2.41 C ATOM 0 H PHE A 68 -10.292 15.257 21.272 1.00 53.13 H new ATOM 0 HA PHE A 68 -11.587 12.986 22.548 1.00 71.34 H new ATOM 0 HB2 PHE A 68 -9.553 13.374 20.334 1.00 43.42 H new ATOM 0 HB3 PHE A 68 -9.886 11.784 20.993 1.00 43.42 H new ATOM 0 HD1 PHE A 68 -11.919 14.739 19.882 1.00 73.43 H new ATOM 0 HD2 PHE A 68 -11.358 10.518 19.749 1.00 11.11 H new ATOM 0 HE1 PHE A 68 -13.862 14.529 18.392 1.00 2.31 H new ATOM 0 HE2 PHE A 68 -13.298 10.306 18.258 1.00 34.31 H new ATOM 0 HZ PHE A 68 -14.558 12.311 17.581 1.00 2.41 H new ATOM 1039 N PHE A 69 -8.941 14.123 23.745 1.00 45.23 N ATOM 1040 CA PHE A 69 -7.872 13.953 24.722 1.00 21.21 C ATOM 1041 C PHE A 69 -7.442 15.299 25.298 1.00 21.22 C ATOM 1042 O PHE A 69 -7.080 15.398 26.470 1.00 62.13 O ATOM 1043 CB PHE A 69 -6.672 13.253 24.081 1.00 41.24 C ATOM 1044 CG PHE A 69 -5.931 14.114 23.097 1.00 34.12 C ATOM 1045 CD1 PHE A 69 -6.563 14.589 21.959 1.00 31.11 C ATOM 1046 CD2 PHE A 69 -4.604 14.448 23.311 1.00 11.42 C ATOM 1047 CE1 PHE A 69 -5.884 15.380 21.052 1.00 3.34 C ATOM 1048 CE2 PHE A 69 -3.920 15.240 22.408 1.00 24.01 C ATOM 1049 CZ PHE A 69 -4.561 15.707 21.278 1.00 42.32 C ATOM 0 H PHE A 69 -9.169 15.095 23.535 1.00 45.23 H new ATOM 0 HA PHE A 69 -8.252 13.335 25.535 1.00 21.21 H new ATOM 0 HB2 PHE A 69 -5.984 12.937 24.865 1.00 41.24 H new ATOM 0 HB3 PHE A 69 -7.015 12.350 23.576 1.00 41.24 H new ATOM 0 HD1 PHE A 69 -7.598 14.338 21.779 1.00 31.11 H new ATOM 0 HD2 PHE A 69 -4.098 14.085 24.194 1.00 11.42 H new ATOM 0 HE1 PHE A 69 -6.387 15.742 20.168 1.00 3.34 H new ATOM 0 HE2 PHE A 69 -2.885 15.493 22.586 1.00 24.01 H new ATOM 0 HZ PHE A 69 -4.029 16.327 20.572 1.00 42.32 H new ATOM 1059 N GLY A 70 -7.484 16.334 24.464 1.00 34.42 N ATOM 1060 CA GLY A 70 -7.096 17.660 24.907 1.00 33.14 C ATOM 1061 C GLY A 70 -5.823 18.144 24.242 1.00 21.25 C ATOM 1062 O GLY A 70 -5.553 17.812 23.088 1.00 2.11 O ATOM 0 H GLY A 70 -7.780 16.277 23.490 1.00 34.42 H new ATOM 0 HA2 GLY A 70 -7.903 18.361 24.694 1.00 33.14 H new ATOM 0 HA3 GLY A 70 -6.957 17.652 25.988 1.00 33.14 H new ATOM 1066 N ARG A 71 -5.039 18.932 24.971 1.00 32.44 N ATOM 1067 CA ARG A 71 -3.789 19.464 24.444 1.00 2.51 C ATOM 1068 C ARG A 71 -2.610 18.580 24.842 1.00 54.33 C ATOM 1069 O ARG A 71 -2.134 18.638 25.975 1.00 34.11 O ATOM 1070 CB ARG A 71 -3.564 20.890 24.950 1.00 3.50 C ATOM 1071 CG ARG A 71 -3.700 21.030 26.457 1.00 5.54 C ATOM 1072 CD ARG A 71 -4.802 22.010 26.829 1.00 43.12 C ATOM 1073 NE ARG A 71 -4.550 22.656 28.114 1.00 23.13 N ATOM 1074 CZ ARG A 71 -5.362 23.557 28.656 1.00 61.31 C ATOM 1075 NH1 ARG A 71 -6.472 23.916 28.027 1.00 74.00 N ATOM 1076 NH2 ARG A 71 -5.064 24.100 29.829 1.00 31.34 N ATOM 0 H ARG A 71 -5.248 19.216 25.928 1.00 32.44 H new ATOM 0 HA ARG A 71 -3.859 19.478 23.356 1.00 2.51 H new ATOM 0 HB2 ARG A 71 -2.569 21.220 24.651 1.00 3.50 H new ATOM 0 HB3 ARG A 71 -4.279 21.555 24.466 1.00 3.50 H new ATOM 0 HG2 ARG A 71 -3.915 20.056 26.896 1.00 5.54 H new ATOM 0 HG3 ARG A 71 -2.753 21.368 26.879 1.00 5.54 H new ATOM 0 HD2 ARG A 71 -4.889 22.770 26.052 1.00 43.12 H new ATOM 0 HD3 ARG A 71 -5.756 21.484 26.869 1.00 43.12 H new ATOM 0 HE ARG A 71 -3.704 22.401 28.624 1.00 23.13 H new ATOM 0 HH11 ARG A 71 -6.704 23.500 27.125 1.00 74.00 H new ATOM 0 HH12 ARG A 71 -7.094 24.608 28.445 1.00 74.00 H new ATOM 0 HH21 ARG A 71 -4.211 23.826 30.316 1.00 31.34 H new ATOM 0 HH22 ARG A 71 -5.688 24.792 30.244 1.00 31.34 H new ATOM 1090 N GLN A 72 -2.146 17.764 23.901 1.00 34.54 N ATOM 1091 CA GLN A 72 -1.025 16.867 24.155 1.00 61.22 C ATOM 1092 C GLN A 72 -0.251 16.587 22.871 1.00 60.22 C ATOM 1093 O GLN A 72 -0.704 16.919 21.775 1.00 44.13 O ATOM 1094 CB GLN A 72 -1.522 15.553 24.762 1.00 43.54 C ATOM 1095 CG GLN A 72 -0.601 14.992 25.833 1.00 71.41 C ATOM 1096 CD GLN A 72 -1.320 14.730 27.142 1.00 72.35 C ATOM 1097 OE1 GLN A 72 -1.646 13.588 27.466 1.00 34.42 O ATOM 1098 NE2 GLN A 72 -1.571 15.789 27.902 1.00 53.23 N ATOM 0 H GLN A 72 -2.528 17.706 22.957 1.00 34.54 H new ATOM 0 HA GLN A 72 -0.355 17.355 24.863 1.00 61.22 H new ATOM 0 HB2 GLN A 72 -2.511 15.712 25.192 1.00 43.54 H new ATOM 0 HB3 GLN A 72 -1.634 14.815 23.968 1.00 43.54 H new ATOM 0 HG2 GLN A 72 -0.157 14.063 25.475 1.00 71.41 H new ATOM 0 HG3 GLN A 72 0.217 15.691 26.006 1.00 71.41 H new ATOM 0 HE21 GLN A 72 -1.283 16.718 27.594 1.00 53.23 H new ATOM 0 HE22 GLN A 72 -2.052 15.674 28.794 1.00 53.23 H new ATOM 1107 N THR A 73 0.920 15.973 23.013 1.00 11.31 N ATOM 1108 CA THR A 73 1.758 15.650 21.865 1.00 32.03 C ATOM 1109 C THR A 73 1.300 14.359 21.197 1.00 60.23 C ATOM 1110 O THR A 73 0.955 13.388 21.870 1.00 22.41 O ATOM 1111 CB THR A 73 3.237 15.508 22.272 1.00 72.13 C ATOM 1112 OG1 THR A 73 3.482 16.224 23.487 1.00 11.21 O ATOM 1113 CG2 THR A 73 4.152 16.032 21.175 1.00 30.42 C ATOM 0 H THR A 73 1.309 15.690 23.912 1.00 11.31 H new ATOM 0 HA THR A 73 1.661 16.475 21.160 1.00 32.03 H new ATOM 0 HB THR A 73 3.449 14.450 22.426 1.00 72.13 H new ATOM 0 HG1 THR A 73 4.299 15.884 23.908 1.00 11.21 H new ATOM 0 HG21 THR A 73 5.191 15.922 21.484 1.00 30.42 H new ATOM 0 HG22 THR A 73 3.984 15.465 20.259 1.00 30.42 H new ATOM 0 HG23 THR A 73 3.937 17.085 20.994 1.00 30.42 H new ATOM 1121 N VAL A 74 1.300 14.354 19.867 1.00 34.04 N ATOM 1122 CA VAL A 74 0.886 13.181 19.107 1.00 34.43 C ATOM 1123 C VAL A 74 1.748 13.000 17.863 1.00 74.11 C ATOM 1124 O VAL A 74 2.578 13.850 17.541 1.00 54.30 O ATOM 1125 CB VAL A 74 -0.592 13.278 18.685 1.00 54.20 C ATOM 1126 CG1 VAL A 74 -1.467 13.629 19.879 1.00 50.11 C ATOM 1127 CG2 VAL A 74 -0.761 14.300 17.571 1.00 13.41 C ATOM 0 H VAL A 74 1.582 15.149 19.294 1.00 34.04 H new ATOM 0 HA VAL A 74 1.013 12.319 19.762 1.00 34.43 H new ATOM 0 HB VAL A 74 -0.909 12.306 18.307 1.00 54.20 H new ATOM 0 HG11 VAL A 74 -2.508 13.693 19.561 1.00 50.11 H new ATOM 0 HG12 VAL A 74 -1.368 12.857 20.642 1.00 50.11 H new ATOM 0 HG13 VAL A 74 -1.154 14.589 20.290 1.00 50.11 H new ATOM 0 HG21 VAL A 74 -1.811 14.356 17.285 1.00 13.41 H new ATOM 0 HG22 VAL A 74 -0.427 15.277 17.920 1.00 13.41 H new ATOM 0 HG23 VAL A 74 -0.165 14.000 16.709 1.00 13.41 H new ATOM 1137 N TYR A 75 1.545 11.887 17.166 1.00 11.14 N ATOM 1138 CA TYR A 75 2.305 11.593 15.957 1.00 1.14 C ATOM 1139 C TYR A 75 1.380 11.456 14.752 1.00 31.51 C ATOM 1140 O TYR A 75 0.334 10.810 14.828 1.00 52.21 O ATOM 1141 CB TYR A 75 3.117 10.310 16.140 1.00 63.11 C ATOM 1142 CG TYR A 75 4.157 10.402 17.234 1.00 63.04 C ATOM 1143 CD1 TYR A 75 5.178 11.343 17.171 1.00 13.23 C ATOM 1144 CD2 TYR A 75 4.120 9.548 18.328 1.00 24.55 C ATOM 1145 CE1 TYR A 75 6.131 11.431 18.168 1.00 75.32 C ATOM 1146 CE2 TYR A 75 5.068 9.629 19.330 1.00 20.23 C ATOM 1147 CZ TYR A 75 6.071 10.572 19.245 1.00 21.33 C ATOM 1148 OH TYR A 75 7.018 10.655 20.241 1.00 71.15 O ATOM 0 H TYR A 75 0.861 11.174 17.418 1.00 11.14 H new ATOM 0 HA TYR A 75 2.987 12.424 15.775 1.00 1.14 H new ATOM 0 HB2 TYR A 75 2.437 9.489 16.365 1.00 63.11 H new ATOM 0 HB3 TYR A 75 3.612 10.066 15.200 1.00 63.11 H new ATOM 0 HD1 TYR A 75 5.227 12.017 16.329 1.00 13.23 H new ATOM 0 HD2 TYR A 75 3.337 8.808 18.397 1.00 24.55 H new ATOM 0 HE1 TYR A 75 6.918 12.168 18.104 1.00 75.32 H new ATOM 0 HE2 TYR A 75 5.024 8.958 20.175 1.00 20.23 H new ATOM 0 HH TYR A 75 6.690 11.239 20.956 1.00 71.15 H new ATOM 1158 N HIS A 76 1.774 12.067 13.639 1.00 34.23 N ATOM 1159 CA HIS A 76 0.981 12.012 12.416 1.00 43.42 C ATOM 1160 C HIS A 76 1.517 10.943 11.469 1.00 71.31 C ATOM 1161 O HIS A 76 0.957 10.712 10.396 1.00 5.03 O ATOM 1162 CB HIS A 76 0.985 13.374 11.720 1.00 34.11 C ATOM 1163 CG HIS A 76 2.348 13.982 11.600 1.00 21.02 C ATOM 1164 ND1 HIS A 76 3.560 13.408 11.415 1.00 3.25 N flip ATOM 1165 CD2 HIS A 76 2.575 15.340 11.671 1.00 40.54 C flip ATOM 1166 CE1 HIS A 76 4.488 14.420 11.376 1.00 32.01 C flip ATOM 1167 NE2 HIS A 76 3.868 15.576 11.533 1.00 13.32 N flip ATOM 0 H HIS A 76 2.637 12.605 13.559 1.00 34.23 H new ATOM 0 HA HIS A 76 -0.043 11.753 12.687 1.00 43.42 H new ATOM 0 HB2 HIS A 76 0.556 13.265 10.724 1.00 34.11 H new ATOM 0 HB3 HIS A 76 0.339 14.057 12.272 1.00 34.11 H new ATOM 0 HD2 HIS A 76 1.815 16.093 11.817 1.00 40.54 H new ATOM 0 HE1 HIS A 76 5.552 14.292 11.239 1.00 32.01 H new ATOM 0 HE2 HIS A 76 4.312 16.494 11.546 1.00 13.32 H new ATOM 1175 N HIS A 77 2.604 10.293 11.872 1.00 21.31 N ATOM 1176 CA HIS A 77 3.215 9.247 11.059 1.00 4.31 C ATOM 1177 C HIS A 77 4.440 8.663 11.757 1.00 41.04 C ATOM 1178 O HIS A 77 4.483 7.471 12.059 1.00 3.11 O ATOM 1179 CB HIS A 77 3.610 9.802 9.690 1.00 71.20 C ATOM 1180 CG HIS A 77 4.466 8.869 8.890 1.00 73.22 C ATOM 1181 ND1 HIS A 77 3.975 8.095 7.860 1.00 64.55 N ATOM 1182 CD2 HIS A 77 5.787 8.589 8.972 1.00 5.24 C ATOM 1183 CE1 HIS A 77 4.958 7.378 7.344 1.00 21.21 C ATOM 1184 NE2 HIS A 77 6.069 7.660 8.001 1.00 34.23 N ATOM 0 H HIS A 77 3.080 10.472 12.756 1.00 21.31 H new ATOM 0 HA HIS A 77 2.482 8.452 10.923 1.00 4.31 H new ATOM 0 HB2 HIS A 77 2.706 10.028 9.124 1.00 71.20 H new ATOM 0 HB3 HIS A 77 4.143 10.743 9.828 1.00 71.20 H new ATOM 0 HD1 HIS A 77 3.005 8.078 7.545 1.00 64.55 H new ATOM 0 HD2 HIS A 77 6.490 9.017 9.672 1.00 5.24 H new ATOM 0 HE1 HIS A 77 4.868 6.680 6.525 1.00 21.21 H new ATOM 1192 N GLU A 78 5.433 9.511 12.008 1.00 71.34 N ATOM 1193 CA GLU A 78 6.659 9.077 12.668 1.00 75.32 C ATOM 1194 C GLU A 78 6.458 8.980 14.178 1.00 63.25 C ATOM 1195 O GLU A 78 6.127 9.966 14.835 1.00 42.01 O ATOM 1196 CB GLU A 78 7.803 10.043 12.355 1.00 15.50 C ATOM 1197 CG GLU A 78 7.471 11.496 12.653 1.00 34.01 C ATOM 1198 CD GLU A 78 7.560 12.379 11.424 1.00 60.04 C ATOM 1199 OE1 GLU A 78 6.778 12.156 10.476 1.00 54.31 O ATOM 1200 OE2 GLU A 78 8.412 13.292 11.409 1.00 71.24 O ATOM 0 H GLU A 78 5.412 10.501 11.765 1.00 71.34 H new ATOM 0 HA GLU A 78 6.915 8.088 12.289 1.00 75.32 H new ATOM 0 HB2 GLU A 78 8.680 9.753 12.933 1.00 15.50 H new ATOM 0 HB3 GLU A 78 8.070 9.948 11.302 1.00 15.50 H new ATOM 0 HG2 GLU A 78 6.465 11.557 13.067 1.00 34.01 H new ATOM 0 HG3 GLU A 78 8.153 11.872 13.416 1.00 34.01 H new ATOM 1207 N ALA A 79 6.661 7.784 14.720 1.00 62.42 N ATOM 1208 CA ALA A 79 6.505 7.557 16.151 1.00 13.22 C ATOM 1209 C ALA A 79 7.500 6.518 16.655 1.00 65.12 C ATOM 1210 O ALA A 79 7.239 5.317 16.597 1.00 64.32 O ATOM 1211 CB ALA A 79 5.081 7.122 16.464 1.00 32.21 C ATOM 0 H ALA A 79 6.934 6.957 14.189 1.00 62.42 H new ATOM 0 HA ALA A 79 6.709 8.496 16.666 1.00 13.22 H new ATOM 0 HB1 ALA A 79 4.979 6.956 17.536 1.00 32.21 H new ATOM 0 HB2 ALA A 79 4.385 7.900 16.149 1.00 32.21 H new ATOM 0 HB3 ALA A 79 4.857 6.198 15.931 1.00 32.21 H new ATOM 1217 N GLN A 80 8.642 6.989 17.148 1.00 74.54 N ATOM 1218 CA GLN A 80 9.677 6.098 17.660 1.00 52.44 C ATOM 1219 C GLN A 80 9.964 6.386 19.130 1.00 75.23 C ATOM 1220 O GLN A 80 9.874 7.529 19.579 1.00 73.44 O ATOM 1221 CB GLN A 80 10.959 6.248 16.839 1.00 20.50 C ATOM 1222 CG GLN A 80 12.178 5.622 17.497 1.00 64.13 C ATOM 1223 CD GLN A 80 13.436 5.779 16.664 1.00 14.01 C ATOM 1224 OE1 GLN A 80 13.438 6.474 15.648 1.00 70.15 O ATOM 1225 NE2 GLN A 80 14.514 5.133 17.092 1.00 72.42 N ATOM 0 H GLN A 80 8.873 7.981 17.203 1.00 74.54 H new ATOM 0 HA GLN A 80 9.316 5.073 17.573 1.00 52.44 H new ATOM 0 HB2 GLN A 80 10.810 5.792 15.861 1.00 20.50 H new ATOM 0 HB3 GLN A 80 11.151 7.308 16.670 1.00 20.50 H new ATOM 0 HG2 GLN A 80 12.334 6.080 18.474 1.00 64.13 H new ATOM 0 HG3 GLN A 80 11.990 4.562 17.668 1.00 64.13 H new ATOM 0 HE21 GLN A 80 14.467 4.568 17.940 1.00 72.42 H new ATOM 0 HE22 GLN A 80 15.389 5.202 16.573 1.00 72.42 H new ATOM 1234 N VAL A 81 10.309 5.341 19.876 1.00 53.04 N ATOM 1235 CA VAL A 81 10.609 5.481 21.295 1.00 3.24 C ATOM 1236 C VAL A 81 11.894 4.746 21.660 1.00 3.42 C ATOM 1237 O VAL A 81 12.142 3.637 21.189 1.00 43.13 O ATOM 1238 CB VAL A 81 9.459 4.945 22.168 1.00 11.32 C ATOM 1239 CG1 VAL A 81 9.673 5.325 23.626 1.00 72.44 C ATOM 1240 CG2 VAL A 81 8.121 5.466 21.664 1.00 23.41 C ATOM 0 H VAL A 81 10.387 4.388 19.520 1.00 53.04 H new ATOM 0 HA VAL A 81 10.735 6.546 21.488 1.00 3.24 H new ATOM 0 HB VAL A 81 9.450 3.857 22.099 1.00 11.32 H new ATOM 0 HG11 VAL A 81 8.851 4.938 24.227 1.00 72.44 H new ATOM 0 HG12 VAL A 81 10.612 4.899 23.979 1.00 72.44 H new ATOM 0 HG13 VAL A 81 9.710 6.411 23.717 1.00 72.44 H new ATOM 0 HG21 VAL A 81 7.319 5.078 22.292 1.00 23.41 H new ATOM 0 HG22 VAL A 81 8.117 6.555 21.703 1.00 23.41 H new ATOM 0 HG23 VAL A 81 7.967 5.139 20.636 1.00 23.41 H new ATOM 1250 N ALA A 82 12.708 5.373 22.504 1.00 64.44 N ATOM 1251 CA ALA A 82 13.967 4.777 22.934 1.00 2.32 C ATOM 1252 C ALA A 82 13.847 4.194 24.338 1.00 11.32 C ATOM 1253 O ALA A 82 13.350 4.851 25.253 1.00 30.04 O ATOM 1254 CB ALA A 82 15.084 5.809 22.883 1.00 10.42 C ATOM 0 H ALA A 82 12.518 6.292 22.903 1.00 64.44 H new ATOM 0 HA ALA A 82 14.207 3.963 22.250 1.00 2.32 H new ATOM 0 HB1 ALA A 82 16.018 5.350 23.207 1.00 10.42 H new ATOM 0 HB2 ALA A 82 15.194 6.176 21.862 1.00 10.42 H new ATOM 0 HB3 ALA A 82 14.841 6.641 23.543 1.00 10.42 H new ATOM 1260 N PHE A 83 14.304 2.957 24.501 1.00 2.33 N ATOM 1261 CA PHE A 83 14.246 2.285 25.794 1.00 1.11 C ATOM 1262 C PHE A 83 15.649 1.990 26.317 1.00 71.41 C ATOM 1263 O PHE A 83 16.187 0.896 26.141 1.00 13.13 O ATOM 1264 CB PHE A 83 13.447 0.985 25.681 1.00 23.04 C ATOM 1265 CG PHE A 83 12.165 1.134 24.913 1.00 64.22 C ATOM 1266 CD1 PHE A 83 11.254 2.124 25.244 1.00 25.23 C ATOM 1267 CD2 PHE A 83 11.872 0.284 23.859 1.00 54.14 C ATOM 1268 CE1 PHE A 83 10.074 2.262 24.539 1.00 11.32 C ATOM 1269 CE2 PHE A 83 10.693 0.418 23.149 1.00 13.05 C ATOM 1270 CZ PHE A 83 9.793 1.409 23.490 1.00 42.23 C ATOM 0 H PHE A 83 14.719 2.400 23.754 1.00 2.33 H new ATOM 0 HA PHE A 83 13.747 2.950 26.499 1.00 1.11 H new ATOM 0 HB2 PHE A 83 14.065 0.229 25.197 1.00 23.04 H new ATOM 0 HB3 PHE A 83 13.221 0.619 26.682 1.00 23.04 H new ATOM 0 HD1 PHE A 83 11.469 2.795 26.062 1.00 25.23 H new ATOM 0 HD2 PHE A 83 12.573 -0.492 23.589 1.00 54.14 H new ATOM 0 HE1 PHE A 83 9.371 3.037 24.808 1.00 11.32 H new ATOM 0 HE2 PHE A 83 10.476 -0.251 22.329 1.00 13.05 H new ATOM 0 HZ PHE A 83 8.871 1.516 22.937 1.00 42.23 H new ATOM 1280 N PRO A 84 16.257 2.988 26.975 1.00 71.31 N ATOM 1281 CA PRO A 84 17.605 2.860 27.537 1.00 72.10 C ATOM 1282 C PRO A 84 17.647 1.915 28.733 1.00 71.22 C ATOM 1283 O PRO A 84 16.810 1.999 29.632 1.00 24.44 O ATOM 1284 CB PRO A 84 17.945 4.288 27.972 1.00 73.34 C ATOM 1285 CG PRO A 84 16.625 4.935 28.211 1.00 54.44 C ATOM 1286 CD PRO A 84 15.675 4.318 27.221 1.00 22.14 C ATOM 0 HA PRO A 84 18.308 2.440 26.818 1.00 72.10 H new ATOM 0 HB2 PRO A 84 18.557 4.292 28.874 1.00 73.34 H new ATOM 0 HB3 PRO A 84 18.510 4.813 27.201 1.00 73.34 H new ATOM 0 HG2 PRO A 84 16.287 4.766 29.233 1.00 54.44 H new ATOM 0 HG3 PRO A 84 16.688 6.014 28.071 1.00 54.44 H new ATOM 0 HD2 PRO A 84 14.665 4.247 27.624 1.00 22.14 H new ATOM 0 HD3 PRO A 84 15.612 4.905 26.305 1.00 22.14 H new ATOM 1294 N TYR A 85 18.626 1.017 28.737 1.00 75.42 N ATOM 1295 CA TYR A 85 18.775 0.054 29.822 1.00 42.13 C ATOM 1296 C TYR A 85 19.208 0.748 31.110 1.00 64.14 C ATOM 1297 O TYR A 85 19.902 1.764 31.077 1.00 25.54 O ATOM 1298 CB TYR A 85 19.794 -1.021 29.441 1.00 64.02 C ATOM 1299 CG TYR A 85 19.402 -1.822 28.220 1.00 34.53 C ATOM 1300 CD1 TYR A 85 18.080 -2.194 28.004 1.00 24.13 C ATOM 1301 CD2 TYR A 85 20.352 -2.207 27.282 1.00 30.25 C ATOM 1302 CE1 TYR A 85 17.717 -2.927 26.891 1.00 4.11 C ATOM 1303 CE2 TYR A 85 19.998 -2.939 26.165 1.00 12.14 C ATOM 1304 CZ TYR A 85 18.679 -3.297 25.974 1.00 5.35 C ATOM 1305 OH TYR A 85 18.322 -4.026 24.863 1.00 13.54 O ATOM 0 H TYR A 85 19.328 0.936 28.001 1.00 75.42 H new ATOM 0 HA TYR A 85 17.807 -0.417 29.992 1.00 42.13 H new ATOM 0 HB2 TYR A 85 20.759 -0.547 29.260 1.00 64.02 H new ATOM 0 HB3 TYR A 85 19.926 -1.700 30.284 1.00 64.02 H new ATOM 0 HD1 TYR A 85 17.324 -1.905 28.719 1.00 24.13 H new ATOM 0 HD2 TYR A 85 21.385 -1.929 27.429 1.00 30.25 H new ATOM 0 HE1 TYR A 85 16.686 -3.209 26.739 1.00 4.11 H new ATOM 0 HE2 TYR A 85 20.749 -3.229 25.445 1.00 12.14 H new ATOM 0 HH TYR A 85 18.069 -4.933 25.134 1.00 13.54 H new ATOM 1315 N ALA A 86 18.793 0.191 32.243 1.00 63.35 N ATOM 1316 CA ALA A 86 19.140 0.753 33.542 1.00 74.20 C ATOM 1317 C ALA A 86 19.936 -0.244 34.377 1.00 62.12 C ATOM 1318 O ALA A 86 20.276 0.026 35.529 1.00 41.31 O ATOM 1319 CB ALA A 86 17.882 1.180 34.284 1.00 21.14 C ATOM 0 H ALA A 86 18.216 -0.649 32.287 1.00 63.35 H new ATOM 0 HA ALA A 86 19.767 1.629 33.376 1.00 74.20 H new ATOM 0 HB1 ALA A 86 18.155 1.598 35.253 1.00 21.14 H new ATOM 0 HB2 ALA A 86 17.353 1.933 33.700 1.00 21.14 H new ATOM 0 HB3 ALA A 86 17.235 0.315 34.431 1.00 21.14 H new ATOM 1325 N LYS A 87 20.231 -1.399 33.789 1.00 50.31 N ATOM 1326 CA LYS A 87 20.988 -2.437 34.478 1.00 62.14 C ATOM 1327 C LYS A 87 21.711 -3.336 33.479 1.00 4.35 C ATOM 1328 O LYS A 87 21.155 -3.704 32.445 1.00 3.32 O ATOM 1329 CB LYS A 87 20.059 -3.277 35.356 1.00 35.40 C ATOM 1330 CG LYS A 87 20.720 -4.519 35.929 1.00 44.32 C ATOM 1331 CD LYS A 87 21.870 -4.160 36.856 1.00 73.31 C ATOM 1332 CE LYS A 87 21.366 -3.632 38.190 1.00 13.01 C ATOM 1333 NZ LYS A 87 21.748 -4.524 39.320 1.00 53.21 N ATOM 0 H LYS A 87 19.957 -1.639 32.836 1.00 50.31 H new ATOM 0 HA LYS A 87 21.732 -1.951 35.109 1.00 62.14 H new ATOM 0 HB2 LYS A 87 19.692 -2.660 36.176 1.00 35.40 H new ATOM 0 HB3 LYS A 87 19.191 -3.576 34.769 1.00 35.40 H new ATOM 0 HG2 LYS A 87 19.982 -5.107 36.474 1.00 44.32 H new ATOM 0 HG3 LYS A 87 21.088 -5.145 35.116 1.00 44.32 H new ATOM 0 HD2 LYS A 87 22.492 -5.039 37.023 1.00 73.31 H new ATOM 0 HD3 LYS A 87 22.501 -3.409 36.381 1.00 73.31 H new ATOM 0 HE2 LYS A 87 21.771 -2.635 38.362 1.00 13.01 H new ATOM 0 HE3 LYS A 87 20.281 -3.534 38.155 1.00 13.01 H new ATOM 0 HZ1 LYS A 87 21.386 -4.129 40.212 1.00 53.21 H new ATOM 0 HZ2 LYS A 87 21.341 -5.469 39.169 1.00 53.21 H new ATOM 0 HZ3 LYS A 87 22.784 -4.597 39.369 1.00 53.21 H new ATOM 1347 N ALA A 88 22.953 -3.686 33.797 1.00 22.24 N ATOM 1348 CA ALA A 88 23.751 -4.545 32.930 1.00 15.51 C ATOM 1349 C ALA A 88 23.336 -6.005 33.072 1.00 21.20 C ATOM 1350 O ALA A 88 23.461 -6.595 34.145 1.00 11.14 O ATOM 1351 CB ALA A 88 25.231 -4.381 33.242 1.00 33.22 C ATOM 0 H ALA A 88 23.429 -3.388 34.649 1.00 22.24 H new ATOM 0 HA ALA A 88 23.574 -4.243 31.898 1.00 15.51 H new ATOM 0 HB1 ALA A 88 25.815 -5.028 32.587 1.00 33.22 H new ATOM 0 HB2 ALA A 88 25.524 -3.343 33.082 1.00 33.22 H new ATOM 0 HB3 ALA A 88 25.416 -4.654 34.281 1.00 33.22 H new ATOM 1357 N VAL A 89 22.842 -6.584 31.982 1.00 14.22 N ATOM 1358 CA VAL A 89 22.409 -7.976 31.985 1.00 31.13 C ATOM 1359 C VAL A 89 22.508 -8.586 30.591 1.00 3.45 C ATOM 1360 O VAL A 89 22.257 -7.916 29.590 1.00 30.14 O ATOM 1361 CB VAL A 89 20.961 -8.113 32.491 1.00 14.33 C ATOM 1362 CG1 VAL A 89 20.905 -7.951 34.003 1.00 43.03 C ATOM 1363 CG2 VAL A 89 20.059 -7.098 31.805 1.00 50.21 C ATOM 0 H VAL A 89 22.732 -6.110 31.085 1.00 14.22 H new ATOM 0 HA VAL A 89 23.075 -8.512 32.661 1.00 31.13 H new ATOM 0 HB VAL A 89 20.601 -9.112 32.243 1.00 14.33 H new ATOM 0 HG11 VAL A 89 19.874 -8.051 34.342 1.00 43.03 H new ATOM 0 HG12 VAL A 89 21.518 -8.719 34.474 1.00 43.03 H new ATOM 0 HG13 VAL A 89 21.283 -6.966 34.278 1.00 43.03 H new ATOM 0 HG21 VAL A 89 19.040 -7.209 32.174 1.00 50.21 H new ATOM 0 HG22 VAL A 89 20.415 -6.091 32.020 1.00 50.21 H new ATOM 0 HG23 VAL A 89 20.075 -7.266 30.728 1.00 50.21 H new ATOM 1373 N GLY A 90 22.877 -9.862 30.534 1.00 14.03 N ATOM 1374 CA GLY A 90 23.003 -10.541 29.258 1.00 35.31 C ATOM 1375 C GLY A 90 21.904 -11.562 29.034 1.00 44.34 C ATOM 1376 O GLY A 90 22.034 -12.446 28.188 1.00 63.11 O ATOM 0 H GLY A 90 23.091 -10.437 31.349 1.00 14.03 H new ATOM 0 HA2 GLY A 90 22.980 -9.805 28.454 1.00 35.31 H new ATOM 0 HA3 GLY A 90 23.972 -11.038 29.208 1.00 35.31 H new ATOM 1380 N GLU A 91 20.821 -11.440 29.794 1.00 12.10 N ATOM 1381 CA GLU A 91 19.697 -12.362 29.675 1.00 42.41 C ATOM 1382 C GLU A 91 18.578 -11.749 28.838 1.00 72.54 C ATOM 1383 O GLU A 91 18.515 -10.538 28.630 1.00 43.50 O ATOM 1384 CB GLU A 91 19.167 -12.736 31.060 1.00 15.34 C ATOM 1385 CG GLU A 91 19.643 -14.094 31.548 1.00 13.54 C ATOM 1386 CD GLU A 91 18.848 -14.598 32.737 1.00 54.00 C ATOM 1387 OE1 GLU A 91 18.958 -13.994 33.824 1.00 32.45 O ATOM 1388 OE2 GLU A 91 18.115 -15.597 32.579 1.00 52.12 O ATOM 0 H GLU A 91 20.698 -10.713 30.498 1.00 12.10 H new ATOM 0 HA GLU A 91 20.050 -13.263 29.174 1.00 42.41 H new ATOM 0 HB2 GLU A 91 19.475 -11.974 31.776 1.00 15.34 H new ATOM 0 HB3 GLU A 91 18.077 -12.729 31.037 1.00 15.34 H new ATOM 0 HG2 GLU A 91 19.569 -14.815 30.734 1.00 13.54 H new ATOM 0 HG3 GLU A 91 20.696 -14.029 31.821 1.00 13.54 H new ATOM 1395 N PRO A 92 17.672 -12.607 28.344 1.00 0.12 N ATOM 1396 CA PRO A 92 16.538 -12.174 27.522 1.00 63.23 C ATOM 1397 C PRO A 92 15.505 -11.392 28.325 1.00 52.22 C ATOM 1398 O PRO A 92 15.359 -11.593 29.531 1.00 44.03 O ATOM 1399 CB PRO A 92 15.941 -13.491 27.020 1.00 33.35 C ATOM 1400 CG PRO A 92 16.339 -14.501 28.041 1.00 1.31 C ATOM 1401 CD PRO A 92 17.685 -14.065 28.552 1.00 55.33 C ATOM 0 HA PRO A 92 16.847 -11.499 26.724 1.00 63.23 H new ATOM 0 HB2 PRO A 92 14.857 -13.425 26.930 1.00 33.35 H new ATOM 0 HB3 PRO A 92 16.328 -13.751 26.035 1.00 33.35 H new ATOM 0 HG2 PRO A 92 15.610 -14.546 28.850 1.00 1.31 H new ATOM 0 HG3 PRO A 92 16.392 -15.498 27.604 1.00 1.31 H new ATOM 0 HD2 PRO A 92 17.818 -14.320 29.603 1.00 55.33 H new ATOM 0 HD3 PRO A 92 18.497 -14.542 28.003 1.00 55.33 H new ATOM 1409 N TYR A 93 14.789 -10.500 27.649 1.00 42.20 N ATOM 1410 CA TYR A 93 13.770 -9.686 28.300 1.00 0.35 C ATOM 1411 C TYR A 93 12.493 -9.642 27.467 1.00 12.12 C ATOM 1412 O TYR A 93 12.484 -10.037 26.301 1.00 12.11 O ATOM 1413 CB TYR A 93 14.291 -8.266 28.530 1.00 24.11 C ATOM 1414 CG TYR A 93 15.305 -7.819 27.501 1.00 74.34 C ATOM 1415 CD1 TYR A 93 16.650 -8.138 27.638 1.00 61.13 C ATOM 1416 CD2 TYR A 93 14.917 -7.078 26.392 1.00 40.45 C ATOM 1417 CE1 TYR A 93 17.580 -7.731 26.700 1.00 33.51 C ATOM 1418 CE2 TYR A 93 15.839 -6.668 25.448 1.00 24.12 C ATOM 1419 CZ TYR A 93 17.169 -6.997 25.607 1.00 64.20 C ATOM 1420 OH TYR A 93 18.091 -6.590 24.670 1.00 5.13 O ATOM 0 H TYR A 93 14.896 -10.323 26.650 1.00 42.20 H new ATOM 0 HA TYR A 93 13.539 -10.142 29.263 1.00 0.35 H new ATOM 0 HB2 TYR A 93 13.449 -7.574 28.523 1.00 24.11 H new ATOM 0 HB3 TYR A 93 14.742 -8.209 29.521 1.00 24.11 H new ATOM 0 HD1 TYR A 93 16.975 -8.714 28.492 1.00 61.13 H new ATOM 0 HD2 TYR A 93 13.876 -6.818 26.265 1.00 40.45 H new ATOM 0 HE1 TYR A 93 18.622 -7.986 26.822 1.00 33.51 H new ATOM 0 HE2 TYR A 93 15.520 -6.093 24.591 1.00 24.12 H new ATOM 0 HH TYR A 93 17.626 -6.299 23.858 1.00 5.13 H new ATOM 1430 N LYS A 94 11.415 -9.158 28.074 1.00 14.32 N ATOM 1431 CA LYS A 94 10.131 -9.059 27.390 1.00 14.14 C ATOM 1432 C LYS A 94 9.791 -7.605 27.079 1.00 54.02 C ATOM 1433 O LYS A 94 10.118 -6.701 27.849 1.00 63.30 O ATOM 1434 CB LYS A 94 9.025 -9.680 28.246 1.00 34.24 C ATOM 1435 CG LYS A 94 7.866 -10.234 27.435 1.00 22.20 C ATOM 1436 CD LYS A 94 6.553 -9.570 27.812 1.00 11.43 C ATOM 1437 CE LYS A 94 5.398 -10.559 27.779 1.00 52.45 C ATOM 1438 NZ LYS A 94 5.553 -11.628 28.803 1.00 64.33 N ATOM 0 H LYS A 94 11.405 -8.828 29.039 1.00 14.32 H new ATOM 0 HA LYS A 94 10.205 -9.606 26.450 1.00 14.14 H new ATOM 0 HB2 LYS A 94 9.451 -10.482 28.849 1.00 34.24 H new ATOM 0 HB3 LYS A 94 8.646 -8.927 28.937 1.00 34.24 H new ATOM 0 HG2 LYS A 94 8.059 -10.083 26.373 1.00 22.20 H new ATOM 0 HG3 LYS A 94 7.790 -11.309 27.595 1.00 22.20 H new ATOM 0 HD2 LYS A 94 6.636 -9.139 28.810 1.00 11.43 H new ATOM 0 HD3 LYS A 94 6.349 -8.748 27.125 1.00 11.43 H new ATOM 0 HE2 LYS A 94 4.461 -10.028 27.947 1.00 52.45 H new ATOM 0 HE3 LYS A 94 5.335 -11.011 26.789 1.00 52.45 H new ATOM 0 HZ1 LYS A 94 4.615 -11.976 29.086 1.00 64.33 H new ATOM 0 HZ2 LYS A 94 6.108 -12.413 28.405 1.00 64.33 H new ATOM 0 HZ3 LYS A 94 6.045 -11.243 29.635 1.00 64.33 H new ATOM 1452 N LEU A 95 9.131 -7.386 25.947 1.00 71.12 N ATOM 1453 CA LEU A 95 8.745 -6.041 25.534 1.00 34.21 C ATOM 1454 C LEU A 95 7.243 -5.961 25.277 1.00 43.31 C ATOM 1455 O LEU A 95 6.640 -6.900 24.758 1.00 22.45 O ATOM 1456 CB LEU A 95 9.512 -5.633 24.275 1.00 12.44 C ATOM 1457 CG LEU A 95 8.853 -4.561 23.406 1.00 72.53 C ATOM 1458 CD1 LEU A 95 8.713 -3.259 24.178 1.00 51.33 C ATOM 1459 CD2 LEU A 95 9.653 -4.344 22.130 1.00 73.14 C ATOM 0 H LEU A 95 8.852 -8.122 25.299 1.00 71.12 H new ATOM 0 HA LEU A 95 8.994 -5.353 26.342 1.00 34.21 H new ATOM 0 HB2 LEU A 95 10.497 -5.275 24.574 1.00 12.44 H new ATOM 0 HB3 LEU A 95 9.668 -6.522 23.664 1.00 12.44 H new ATOM 0 HG LEU A 95 7.856 -4.905 23.132 1.00 72.53 H new ATOM 0 HD11 LEU A 95 8.242 -2.508 23.543 1.00 51.33 H new ATOM 0 HD12 LEU A 95 8.097 -3.425 25.062 1.00 51.33 H new ATOM 0 HD13 LEU A 95 9.699 -2.909 24.483 1.00 51.33 H new ATOM 0 HD21 LEU A 95 9.170 -3.578 21.523 1.00 73.14 H new ATOM 0 HD22 LEU A 95 10.663 -4.022 22.384 1.00 73.14 H new ATOM 0 HD23 LEU A 95 9.700 -5.276 21.567 1.00 73.14 H new ATOM 1471 N VAL A 96 6.645 -4.831 25.641 1.00 5.41 N ATOM 1472 CA VAL A 96 5.215 -4.625 25.447 1.00 61.51 C ATOM 1473 C VAL A 96 4.933 -3.250 24.852 1.00 31.40 C ATOM 1474 O VAL A 96 5.273 -2.224 25.443 1.00 63.53 O ATOM 1475 CB VAL A 96 4.443 -4.768 26.772 1.00 54.12 C ATOM 1476 CG1 VAL A 96 5.224 -4.139 27.916 1.00 72.53 C ATOM 1477 CG2 VAL A 96 3.061 -4.143 26.652 1.00 11.02 C ATOM 0 H VAL A 96 7.129 -4.044 26.072 1.00 5.41 H new ATOM 0 HA VAL A 96 4.876 -5.394 24.753 1.00 61.51 H new ATOM 0 HB VAL A 96 4.320 -5.829 26.989 1.00 54.12 H new ATOM 0 HG11 VAL A 96 4.663 -4.250 28.844 1.00 72.53 H new ATOM 0 HG12 VAL A 96 6.189 -4.636 28.014 1.00 72.53 H new ATOM 0 HG13 VAL A 96 5.380 -3.080 27.711 1.00 72.53 H new ATOM 0 HG21 VAL A 96 2.529 -4.253 27.597 1.00 11.02 H new ATOM 0 HG22 VAL A 96 3.160 -3.084 26.412 1.00 11.02 H new ATOM 0 HG23 VAL A 96 2.503 -4.644 25.861 1.00 11.02 H new ATOM 1487 N LEU A 97 4.308 -3.236 23.680 1.00 64.03 N ATOM 1488 CA LEU A 97 3.979 -1.986 23.004 1.00 60.04 C ATOM 1489 C LEU A 97 2.472 -1.855 22.804 1.00 24.33 C ATOM 1490 O LEU A 97 1.798 -2.816 22.431 1.00 3.02 O ATOM 1491 CB LEU A 97 4.692 -1.911 21.652 1.00 1.03 C ATOM 1492 CG LEU A 97 5.789 -0.853 21.530 1.00 3.02 C ATOM 1493 CD1 LEU A 97 6.946 -1.378 20.694 1.00 3.25 C ATOM 1494 CD2 LEU A 97 5.231 0.427 20.927 1.00 53.44 C ATOM 0 H LEU A 97 4.019 -4.076 23.178 1.00 64.03 H new ATOM 0 HA LEU A 97 4.317 -1.162 23.633 1.00 60.04 H new ATOM 0 HB2 LEU A 97 5.130 -2.886 21.440 1.00 1.03 H new ATOM 0 HB3 LEU A 97 3.946 -1.723 20.880 1.00 1.03 H new ATOM 0 HG LEU A 97 6.162 -0.627 22.529 1.00 3.02 H new ATOM 0 HD11 LEU A 97 7.717 -0.611 20.618 1.00 3.25 H new ATOM 0 HD12 LEU A 97 7.363 -2.267 21.168 1.00 3.25 H new ATOM 0 HD13 LEU A 97 6.588 -1.633 19.696 1.00 3.25 H new ATOM 0 HD21 LEU A 97 6.026 1.169 20.848 1.00 53.44 H new ATOM 0 HD22 LEU A 97 4.830 0.217 19.935 1.00 53.44 H new ATOM 0 HD23 LEU A 97 4.436 0.814 21.565 1.00 53.44 H new ATOM 1506 N THR A 98 1.949 -0.659 23.054 1.00 42.23 N ATOM 1507 CA THR A 98 0.523 -0.401 22.901 1.00 31.40 C ATOM 1508 C THR A 98 0.277 0.866 22.091 1.00 75.04 C ATOM 1509 O THR A 98 0.772 1.940 22.433 1.00 21.33 O ATOM 1510 CB THR A 98 -0.173 -0.266 24.268 1.00 31.15 C ATOM 1511 OG1 THR A 98 0.057 -1.441 25.053 1.00 35.45 O ATOM 1512 CG2 THR A 98 -1.669 -0.050 24.095 1.00 1.03 C ATOM 0 H THR A 98 2.492 0.147 23.364 1.00 42.23 H new ATOM 0 HA THR A 98 0.103 -1.255 22.370 1.00 31.40 H new ATOM 0 HB THR A 98 0.246 0.600 24.780 1.00 31.15 H new ATOM 0 HG1 THR A 98 -0.387 -1.346 25.921 1.00 35.45 H new ATOM 0 HG21 THR A 98 -2.139 0.042 25.074 1.00 1.03 H new ATOM 0 HG22 THR A 98 -1.841 0.861 23.522 1.00 1.03 H new ATOM 0 HG23 THR A 98 -2.100 -0.899 23.564 1.00 1.03 H new ATOM 1520 N TYR A 99 -0.492 0.735 21.015 1.00 20.31 N ATOM 1521 CA TYR A 99 -0.803 1.870 20.155 1.00 63.14 C ATOM 1522 C TYR A 99 -2.296 2.181 20.181 1.00 31.02 C ATOM 1523 O TYR A 99 -3.130 1.281 20.081 1.00 43.31 O ATOM 1524 CB TYR A 99 -0.355 1.587 18.720 1.00 61.33 C ATOM 1525 CG TYR A 99 0.521 0.361 18.589 1.00 11.05 C ATOM 1526 CD1 TYR A 99 1.849 0.385 18.998 1.00 53.05 C ATOM 1527 CD2 TYR A 99 0.020 -0.822 18.059 1.00 12.51 C ATOM 1528 CE1 TYR A 99 2.652 -0.732 18.880 1.00 65.24 C ATOM 1529 CE2 TYR A 99 0.816 -1.944 17.939 1.00 71.22 C ATOM 1530 CZ TYR A 99 2.132 -1.894 18.350 1.00 74.41 C ATOM 1531 OH TYR A 99 2.929 -3.010 18.232 1.00 14.11 O ATOM 0 H TYR A 99 -0.911 -0.146 20.718 1.00 20.31 H new ATOM 0 HA TYR A 99 -0.263 2.738 20.533 1.00 63.14 H new ATOM 0 HB2 TYR A 99 -1.237 1.462 18.091 1.00 61.33 H new ATOM 0 HB3 TYR A 99 0.187 2.453 18.340 1.00 61.33 H new ATOM 0 HD1 TYR A 99 2.260 1.293 19.415 1.00 53.05 H new ATOM 0 HD2 TYR A 99 -1.010 -0.865 17.735 1.00 12.51 H new ATOM 0 HE1 TYR A 99 3.682 -0.696 19.201 1.00 65.24 H new ATOM 0 HE2 TYR A 99 0.411 -2.856 17.526 1.00 71.22 H new ATOM 0 HH TYR A 99 3.605 -3.005 18.941 1.00 14.11 H new ATOM 1541 N GLN A 100 -2.625 3.462 20.316 1.00 23.34 N ATOM 1542 CA GLN A 100 -4.017 3.892 20.356 1.00 12.44 C ATOM 1543 C GLN A 100 -4.153 5.339 19.892 1.00 72.30 C ATOM 1544 O GLN A 100 -3.506 6.237 20.428 1.00 24.11 O ATOM 1545 CB GLN A 100 -4.579 3.744 21.772 1.00 64.25 C ATOM 1546 CG GLN A 100 -6.092 3.874 21.843 1.00 65.14 C ATOM 1547 CD GLN A 100 -6.546 5.309 22.024 1.00 20.20 C ATOM 1548 OE1 GLN A 100 -6.598 6.081 21.067 1.00 43.53 O ATOM 1549 NE2 GLN A 100 -6.879 5.673 23.257 1.00 43.32 N ATOM 0 H GLN A 100 -1.947 4.219 20.399 1.00 23.34 H new ATOM 0 HA GLN A 100 -4.587 3.256 19.678 1.00 12.44 H new ATOM 0 HB2 GLN A 100 -4.287 2.772 22.170 1.00 64.25 H new ATOM 0 HB3 GLN A 100 -4.127 4.500 22.414 1.00 64.25 H new ATOM 0 HG2 GLN A 100 -6.531 3.470 20.931 1.00 65.14 H new ATOM 0 HG3 GLN A 100 -6.466 3.271 22.670 1.00 65.14 H new ATOM 0 HE21 GLN A 100 -6.821 5.000 24.021 1.00 43.32 H new ATOM 0 HE22 GLN A 100 -7.193 6.626 23.440 1.00 43.32 H new ATOM 1558 N GLY A 101 -5.000 5.557 18.890 1.00 33.45 N ATOM 1559 CA GLY A 101 -5.205 6.896 18.370 1.00 33.23 C ATOM 1560 C GLY A 101 -6.490 7.018 17.575 1.00 41.50 C ATOM 1561 O GLY A 101 -7.431 6.252 17.781 1.00 50.31 O ATOM 0 H GLY A 101 -5.548 4.830 18.429 1.00 33.45 H new ATOM 0 HA2 GLY A 101 -5.225 7.605 19.198 1.00 33.23 H new ATOM 0 HA3 GLY A 101 -4.362 7.169 17.736 1.00 33.23 H new ATOM 1565 N SER A 102 -6.530 7.986 16.665 1.00 52.15 N ATOM 1566 CA SER A 102 -7.711 8.210 15.839 1.00 13.32 C ATOM 1567 C SER A 102 -7.316 8.665 14.438 1.00 52.34 C ATOM 1568 O SER A 102 -6.167 9.032 14.193 1.00 13.21 O ATOM 1569 CB SER A 102 -8.623 9.254 16.488 1.00 24.44 C ATOM 1570 OG SER A 102 -8.941 10.291 15.577 1.00 71.44 O ATOM 0 H SER A 102 -5.759 8.628 16.481 1.00 52.15 H new ATOM 0 HA SER A 102 -8.251 7.267 15.757 1.00 13.32 H new ATOM 0 HB2 SER A 102 -9.540 8.776 16.834 1.00 24.44 H new ATOM 0 HB3 SER A 102 -8.132 9.675 17.366 1.00 24.44 H new ATOM 0 HG SER A 102 -8.243 10.979 15.608 1.00 71.44 H new ATOM 1576 N ALA A 103 -8.278 8.638 13.520 1.00 24.04 N ATOM 1577 CA ALA A 103 -8.032 9.049 12.144 1.00 60.03 C ATOM 1578 C ALA A 103 -8.257 10.547 11.970 1.00 54.15 C ATOM 1579 O ALA A 103 -9.199 11.110 12.526 1.00 53.51 O ATOM 1580 CB ALA A 103 -8.923 8.265 11.192 1.00 72.01 C ATOM 0 H ALA A 103 -9.234 8.336 13.705 1.00 24.04 H new ATOM 0 HA ALA A 103 -6.990 8.835 11.908 1.00 60.03 H new ATOM 0 HB1 ALA A 103 -8.729 8.582 10.167 1.00 72.01 H new ATOM 0 HB2 ALA A 103 -8.711 7.200 11.289 1.00 72.01 H new ATOM 0 HB3 ALA A 103 -9.969 8.450 11.437 1.00 72.01 H new ATOM 1586 N GLU A 104 -7.386 11.186 11.194 1.00 35.25 N ATOM 1587 CA GLU A 104 -7.491 12.619 10.949 1.00 10.44 C ATOM 1588 C GLU A 104 -8.843 12.969 10.334 1.00 60.00 C ATOM 1589 O GLU A 104 -9.292 14.112 10.405 1.00 12.42 O ATOM 1590 CB GLU A 104 -6.363 13.085 10.027 1.00 44.31 C ATOM 1591 CG GLU A 104 -5.624 14.310 10.539 1.00 13.52 C ATOM 1592 CD GLU A 104 -5.985 15.570 9.777 1.00 54.43 C ATOM 1593 OE1 GLU A 104 -5.398 15.801 8.699 1.00 14.42 O ATOM 1594 OE2 GLU A 104 -6.856 16.325 10.258 1.00 10.53 O ATOM 0 H GLU A 104 -6.601 10.734 10.725 1.00 35.25 H new ATOM 0 HA GLU A 104 -7.404 13.132 11.907 1.00 10.44 H new ATOM 0 HB2 GLU A 104 -5.651 12.270 9.897 1.00 44.31 H new ATOM 0 HB3 GLU A 104 -6.777 13.306 9.043 1.00 44.31 H new ATOM 0 HG2 GLU A 104 -5.851 14.451 11.596 1.00 13.52 H new ATOM 0 HG3 GLU A 104 -4.550 14.140 10.464 1.00 13.52 H new ATOM 1601 N ALA A 105 -9.486 11.975 9.729 1.00 1.43 N ATOM 1602 CA ALA A 105 -10.786 12.176 9.103 1.00 54.54 C ATOM 1603 C ALA A 105 -11.887 12.307 10.151 1.00 65.45 C ATOM 1604 O ALA A 105 -12.896 12.973 9.926 1.00 42.13 O ATOM 1605 CB ALA A 105 -11.096 11.032 8.149 1.00 24.33 C ATOM 0 H ALA A 105 -9.127 11.023 9.660 1.00 1.43 H new ATOM 0 HA ALA A 105 -10.748 13.106 8.536 1.00 54.54 H new ATOM 0 HB1 ALA A 105 -12.070 11.196 7.689 1.00 24.33 H new ATOM 0 HB2 ALA A 105 -10.331 10.988 7.374 1.00 24.33 H new ATOM 0 HB3 ALA A 105 -11.109 10.092 8.700 1.00 24.33 H new ATOM 1611 N GLY A 106 -11.685 11.664 11.297 1.00 4.11 N ATOM 1612 CA GLY A 106 -12.669 11.720 12.362 1.00 3.22 C ATOM 1613 C GLY A 106 -13.154 10.345 12.776 1.00 55.23 C ATOM 1614 O GLY A 106 -14.354 10.130 12.953 1.00 64.43 O ATOM 0 H GLY A 106 -10.858 11.105 11.507 1.00 4.11 H new ATOM 0 HA2 GLY A 106 -12.236 12.225 13.226 1.00 3.22 H new ATOM 0 HA3 GLY A 106 -13.519 12.319 12.036 1.00 3.22 H new ATOM 1618 N VAL A 107 -12.221 9.411 12.929 1.00 74.12 N ATOM 1619 CA VAL A 107 -12.561 8.049 13.324 1.00 62.04 C ATOM 1620 C VAL A 107 -11.803 7.636 14.580 1.00 0.13 C ATOM 1621 O VAL A 107 -10.639 7.995 14.762 1.00 40.32 O ATOM 1622 CB VAL A 107 -12.251 7.045 12.198 1.00 75.35 C ATOM 1623 CG1 VAL A 107 -12.455 5.618 12.684 1.00 71.24 C ATOM 1624 CG2 VAL A 107 -13.115 7.330 10.978 1.00 31.50 C ATOM 0 H VAL A 107 -11.224 9.572 12.786 1.00 74.12 H new ATOM 0 HA VAL A 107 -13.632 8.036 13.528 1.00 62.04 H new ATOM 0 HB VAL A 107 -11.206 7.159 11.910 1.00 75.35 H new ATOM 0 HG11 VAL A 107 -12.231 4.923 11.875 1.00 71.24 H new ATOM 0 HG12 VAL A 107 -11.790 5.422 13.525 1.00 71.24 H new ATOM 0 HG13 VAL A 107 -13.490 5.486 13.000 1.00 71.24 H new ATOM 0 HG21 VAL A 107 -12.883 6.611 10.192 1.00 31.50 H new ATOM 0 HG22 VAL A 107 -14.167 7.244 11.249 1.00 31.50 H new ATOM 0 HG23 VAL A 107 -12.914 8.339 10.618 1.00 31.50 H new ATOM 1634 N CYS A 108 -12.470 6.879 15.445 1.00 40.53 N ATOM 1635 CA CYS A 108 -11.859 6.417 16.686 1.00 14.00 C ATOM 1636 C CYS A 108 -11.857 4.893 16.756 1.00 44.41 C ATOM 1637 O CYS A 108 -12.912 4.259 16.747 1.00 51.54 O ATOM 1638 CB CYS A 108 -12.604 6.994 17.891 1.00 73.41 C ATOM 1639 SG CYS A 108 -14.398 6.779 17.821 1.00 33.15 S ATOM 0 H CYS A 108 -13.433 6.573 15.310 1.00 40.53 H new ATOM 0 HA CYS A 108 -10.826 6.765 16.706 1.00 14.00 H new ATOM 0 HB2 CYS A 108 -12.227 6.521 18.798 1.00 73.41 H new ATOM 0 HB3 CYS A 108 -12.379 8.058 17.969 1.00 73.41 H new ATOM 0 HG CYS A 108 -14.676 5.608 17.330 1.00 33.15 H new ATOM 1645 N TYR A 109 -10.664 4.312 16.824 1.00 33.12 N ATOM 1646 CA TYR A 109 -10.524 2.862 16.891 1.00 2.23 C ATOM 1647 C TYR A 109 -9.972 2.430 18.247 1.00 53.43 C ATOM 1648 O TYR A 109 -9.363 3.213 18.976 1.00 13.30 O ATOM 1649 CB TYR A 109 -9.606 2.365 15.773 1.00 1.51 C ATOM 1650 CG TYR A 109 -8.450 3.295 15.481 1.00 41.23 C ATOM 1651 CD1 TYR A 109 -8.601 4.374 14.618 1.00 20.30 C ATOM 1652 CD2 TYR A 109 -7.207 3.095 16.068 1.00 4.42 C ATOM 1653 CE1 TYR A 109 -7.547 5.225 14.348 1.00 53.15 C ATOM 1654 CE2 TYR A 109 -6.148 3.943 15.805 1.00 63.44 C ATOM 1655 CZ TYR A 109 -6.323 5.006 14.943 1.00 22.44 C ATOM 1656 OH TYR A 109 -5.271 5.852 14.678 1.00 51.24 O ATOM 0 H TYR A 109 -9.781 4.822 16.834 1.00 33.12 H new ATOM 0 HA TYR A 109 -11.513 2.421 16.764 1.00 2.23 H new ATOM 0 HB2 TYR A 109 -9.213 1.385 16.045 1.00 1.51 H new ATOM 0 HB3 TYR A 109 -10.193 2.232 14.864 1.00 1.51 H new ATOM 0 HD1 TYR A 109 -9.559 4.550 14.151 1.00 20.30 H new ATOM 0 HD2 TYR A 109 -7.066 2.263 16.741 1.00 4.42 H new ATOM 0 HE1 TYR A 109 -7.681 6.058 13.674 1.00 53.15 H new ATOM 0 HE2 TYR A 109 -5.189 3.775 16.272 1.00 63.44 H new ATOM 0 HH TYR A 109 -5.388 6.252 13.791 1.00 51.24 H new ATOM 1666 N PRO A 110 -10.190 1.153 18.593 1.00 62.01 N ATOM 1667 CA PRO A 110 -9.722 0.586 19.861 1.00 32.03 C ATOM 1668 C PRO A 110 -8.205 0.443 19.908 1.00 62.21 C ATOM 1669 O PRO A 110 -7.529 0.404 18.879 1.00 1.45 O ATOM 1670 CB PRO A 110 -10.391 -0.790 19.902 1.00 23.45 C ATOM 1671 CG PRO A 110 -10.631 -1.138 18.474 1.00 54.51 C ATOM 1672 CD PRO A 110 -10.908 0.164 17.773 1.00 74.54 C ATOM 0 HA PRO A 110 -9.973 1.223 20.709 1.00 32.03 H new ATOM 0 HB2 PRO A 110 -9.751 -1.527 20.387 1.00 23.45 H new ATOM 0 HB3 PRO A 110 -11.324 -0.760 20.464 1.00 23.45 H new ATOM 0 HG2 PRO A 110 -9.763 -1.637 18.042 1.00 54.51 H new ATOM 0 HG3 PRO A 110 -11.474 -1.822 18.375 1.00 54.51 H new ATOM 0 HD2 PRO A 110 -10.543 0.153 16.746 1.00 74.54 H new ATOM 0 HD3 PRO A 110 -11.976 0.378 17.730 1.00 74.54 H new ATOM 1680 N PRO A 111 -7.654 0.361 21.128 1.00 14.33 N ATOM 1681 CA PRO A 111 -6.210 0.220 21.338 1.00 74.13 C ATOM 1682 C PRO A 111 -5.693 -1.148 20.906 1.00 72.02 C ATOM 1683 O PRO A 111 -6.426 -2.137 20.933 1.00 50.11 O ATOM 1684 CB PRO A 111 -6.052 0.398 22.850 1.00 51.53 C ATOM 1685 CG PRO A 111 -7.370 0.000 23.418 1.00 31.13 C ATOM 1686 CD PRO A 111 -8.399 0.400 22.398 1.00 55.21 C ATOM 0 HA PRO A 111 -5.640 0.939 20.749 1.00 74.13 H new ATOM 0 HB2 PRO A 111 -5.248 -0.226 23.240 1.00 51.53 H new ATOM 0 HB3 PRO A 111 -5.807 1.429 23.104 1.00 51.53 H new ATOM 0 HG2 PRO A 111 -7.405 -1.073 23.608 1.00 31.13 H new ATOM 0 HG3 PRO A 111 -7.551 0.498 24.371 1.00 31.13 H new ATOM 0 HD2 PRO A 111 -9.244 -0.288 22.389 1.00 55.21 H new ATOM 0 HD3 PRO A 111 -8.799 1.394 22.599 1.00 55.21 H new ATOM 1694 N VAL A 112 -4.426 -1.198 20.508 1.00 41.21 N ATOM 1695 CA VAL A 112 -3.810 -2.445 20.072 1.00 70.34 C ATOM 1696 C VAL A 112 -2.531 -2.729 20.851 1.00 43.41 C ATOM 1697 O VAL A 112 -1.540 -2.009 20.721 1.00 14.23 O ATOM 1698 CB VAL A 112 -3.485 -2.414 18.566 1.00 21.44 C ATOM 1699 CG1 VAL A 112 -3.045 -3.789 18.086 1.00 34.35 C ATOM 1700 CG2 VAL A 112 -4.686 -1.922 17.772 1.00 25.24 C ATOM 0 H VAL A 112 -3.806 -0.389 20.479 1.00 41.21 H new ATOM 0 HA VAL A 112 -4.532 -3.238 20.264 1.00 70.34 H new ATOM 0 HB VAL A 112 -2.662 -1.719 18.404 1.00 21.44 H new ATOM 0 HG11 VAL A 112 -2.820 -3.747 17.020 1.00 34.35 H new ATOM 0 HG12 VAL A 112 -2.154 -4.098 18.633 1.00 34.35 H new ATOM 0 HG13 VAL A 112 -3.845 -4.508 18.260 1.00 34.35 H new ATOM 0 HG21 VAL A 112 -4.439 -1.906 16.711 1.00 25.24 H new ATOM 0 HG22 VAL A 112 -5.531 -2.591 17.938 1.00 25.24 H new ATOM 0 HG23 VAL A 112 -4.950 -0.916 18.098 1.00 25.24 H new ATOM 1710 N ASP A 113 -2.559 -3.782 21.660 1.00 4.31 N ATOM 1711 CA ASP A 113 -1.400 -4.162 22.460 1.00 32.21 C ATOM 1712 C ASP A 113 -0.652 -5.324 21.815 1.00 70.44 C ATOM 1713 O ASP A 113 -1.262 -6.278 21.330 1.00 34.02 O ATOM 1714 CB ASP A 113 -1.834 -4.543 23.876 1.00 15.34 C ATOM 1715 CG ASP A 113 -2.488 -5.909 23.934 1.00 33.20 C ATOM 1716 OD1 ASP A 113 -3.616 -6.050 23.416 1.00 13.04 O ATOM 1717 OD2 ASP A 113 -1.872 -6.838 24.496 1.00 62.31 O ATOM 0 H ASP A 113 -3.371 -4.388 21.779 1.00 4.31 H new ATOM 0 HA ASP A 113 -0.729 -3.305 22.512 1.00 32.21 H new ATOM 0 HB2 ASP A 113 -0.965 -4.531 24.534 1.00 15.34 H new ATOM 0 HB3 ASP A 113 -2.530 -3.794 24.253 1.00 15.34 H new ATOM 1722 N THR A 114 0.675 -5.238 21.810 1.00 33.23 N ATOM 1723 CA THR A 114 1.506 -6.281 21.222 1.00 4.44 C ATOM 1724 C THR A 114 2.805 -6.453 22.002 1.00 33.33 C ATOM 1725 O THR A 114 3.505 -5.481 22.282 1.00 40.15 O ATOM 1726 CB THR A 114 1.842 -5.969 19.752 1.00 72.03 C ATOM 1727 OG1 THR A 114 1.315 -4.687 19.390 1.00 23.50 O ATOM 1728 CG2 THR A 114 1.272 -7.036 18.829 1.00 50.21 C ATOM 0 H THR A 114 1.197 -4.457 22.207 1.00 33.23 H new ATOM 0 HA THR A 114 0.932 -7.206 21.268 1.00 4.44 H new ATOM 0 HB THR A 114 2.927 -5.959 19.644 1.00 72.03 H new ATOM 0 HG1 THR A 114 2.054 -4.065 19.223 1.00 23.50 H new ATOM 0 HG21 THR A 114 1.522 -6.795 17.796 1.00 50.21 H new ATOM 0 HG22 THR A 114 1.697 -8.006 19.088 1.00 50.21 H new ATOM 0 HG23 THR A 114 0.188 -7.073 18.941 1.00 50.21 H new ATOM 1736 N GLU A 115 3.120 -7.697 22.350 1.00 32.03 N ATOM 1737 CA GLU A 115 4.335 -7.995 23.099 1.00 62.53 C ATOM 1738 C GLU A 115 5.392 -8.621 22.193 1.00 42.42 C ATOM 1739 O GLU A 115 5.075 -9.408 21.301 1.00 54.42 O ATOM 1740 CB GLU A 115 4.025 -8.937 24.264 1.00 72.30 C ATOM 1741 CG GLU A 115 3.300 -8.262 25.416 1.00 73.01 C ATOM 1742 CD GLU A 115 1.823 -8.060 25.137 1.00 32.35 C ATOM 1743 OE1 GLU A 115 1.084 -9.067 25.100 1.00 41.32 O ATOM 1744 OE2 GLU A 115 1.406 -6.897 24.957 1.00 31.31 O ATOM 0 H GLU A 115 2.551 -8.513 22.125 1.00 32.03 H new ATOM 0 HA GLU A 115 4.727 -7.058 23.494 1.00 62.53 H new ATOM 0 HB2 GLU A 115 3.418 -9.765 23.899 1.00 72.30 H new ATOM 0 HB3 GLU A 115 4.958 -9.364 24.633 1.00 72.30 H new ATOM 0 HG2 GLU A 115 3.417 -8.864 26.317 1.00 73.01 H new ATOM 0 HG3 GLU A 115 3.764 -7.296 25.616 1.00 73.01 H new ATOM 1751 N PHE A 116 6.650 -8.264 22.428 1.00 5.11 N ATOM 1752 CA PHE A 116 7.755 -8.788 21.633 1.00 1.22 C ATOM 1753 C PHE A 116 8.823 -9.408 22.529 1.00 63.52 C ATOM 1754 O PHE A 116 9.309 -8.774 23.465 1.00 44.51 O ATOM 1755 CB PHE A 116 8.371 -7.676 20.781 1.00 13.35 C ATOM 1756 CG PHE A 116 7.391 -7.022 19.850 1.00 53.03 C ATOM 1757 CD1 PHE A 116 6.668 -7.778 18.942 1.00 74.54 C ATOM 1758 CD2 PHE A 116 7.192 -5.651 19.882 1.00 21.14 C ATOM 1759 CE1 PHE A 116 5.766 -7.179 18.083 1.00 71.24 C ATOM 1760 CE2 PHE A 116 6.291 -5.046 19.026 1.00 23.31 C ATOM 1761 CZ PHE A 116 5.577 -5.812 18.126 1.00 55.32 C ATOM 0 H PHE A 116 6.930 -7.614 23.162 1.00 5.11 H new ATOM 0 HA PHE A 116 7.361 -9.564 20.976 1.00 1.22 H new ATOM 0 HB2 PHE A 116 8.796 -6.918 21.439 1.00 13.35 H new ATOM 0 HB3 PHE A 116 9.194 -8.090 20.198 1.00 13.35 H new ATOM 0 HD1 PHE A 116 6.811 -8.848 18.905 1.00 74.54 H new ATOM 0 HD2 PHE A 116 7.748 -5.048 20.585 1.00 21.14 H new ATOM 0 HE1 PHE A 116 5.210 -7.780 17.379 1.00 71.24 H new ATOM 0 HE2 PHE A 116 6.146 -3.976 19.061 1.00 23.31 H new ATOM 0 HZ PHE A 116 4.872 -5.342 17.457 1.00 55.32 H new ATOM 1771 N ASP A 117 9.183 -10.653 22.235 1.00 51.02 N ATOM 1772 CA ASP A 117 10.194 -11.361 23.012 1.00 13.41 C ATOM 1773 C ASP A 117 11.593 -11.068 22.479 1.00 13.42 C ATOM 1774 O ASP A 117 11.901 -11.361 21.324 1.00 42.33 O ATOM 1775 CB ASP A 117 9.928 -12.867 22.983 1.00 44.42 C ATOM 1776 CG ASP A 117 8.455 -13.198 23.117 1.00 0.43 C ATOM 1777 OD1 ASP A 117 7.712 -13.006 22.132 1.00 10.33 O ATOM 1778 OD2 ASP A 117 8.045 -13.648 24.208 1.00 52.22 O ATOM 0 H ASP A 117 8.790 -11.193 21.464 1.00 51.02 H new ATOM 0 HA ASP A 117 10.137 -11.010 24.042 1.00 13.41 H new ATOM 0 HB2 ASP A 117 10.307 -13.282 22.049 1.00 44.42 H new ATOM 0 HB3 ASP A 117 10.480 -13.346 23.792 1.00 44.42 H new ATOM 1783 N ILE A 118 12.434 -10.487 23.328 1.00 21.11 N ATOM 1784 CA ILE A 118 13.800 -10.155 22.942 1.00 13.42 C ATOM 1785 C ILE A 118 14.792 -11.166 23.505 1.00 30.52 C ATOM 1786 O ILE A 118 14.829 -11.410 24.711 1.00 25.34 O ATOM 1787 CB ILE A 118 14.193 -8.745 23.422 1.00 20.12 C ATOM 1788 CG1 ILE A 118 13.052 -7.758 23.165 1.00 64.22 C ATOM 1789 CG2 ILE A 118 15.466 -8.285 22.727 1.00 12.12 C ATOM 1790 CD1 ILE A 118 12.687 -7.625 21.703 1.00 33.21 C ATOM 0 H ILE A 118 12.194 -10.237 24.287 1.00 21.11 H new ATOM 0 HA ILE A 118 13.836 -10.183 21.853 1.00 13.42 H new ATOM 0 HB ILE A 118 14.381 -8.782 24.495 1.00 20.12 H new ATOM 0 HG12 ILE A 118 12.172 -8.078 23.723 1.00 64.22 H new ATOM 0 HG13 ILE A 118 13.335 -6.779 23.551 1.00 64.22 H new ATOM 0 HG21 ILE A 118 15.731 -7.287 23.076 1.00 12.12 H new ATOM 0 HG22 ILE A 118 16.276 -8.977 22.957 1.00 12.12 H new ATOM 0 HG23 ILE A 118 15.304 -8.261 21.649 1.00 12.12 H new ATOM 0 HD11 ILE A 118 11.872 -6.910 21.595 1.00 33.21 H new ATOM 0 HD12 ILE A 118 13.554 -7.275 21.142 1.00 33.21 H new ATOM 0 HD13 ILE A 118 12.372 -8.595 21.317 1.00 33.21 H new ATOM 1802 N PHE A 119 15.596 -11.752 22.624 1.00 51.12 N ATOM 1803 CA PHE A 119 16.590 -12.737 23.033 1.00 62.24 C ATOM 1804 C PHE A 119 17.752 -12.780 22.044 1.00 2.55 C ATOM 1805 O PHE A 119 18.385 -13.818 21.857 1.00 34.01 O ATOM 1806 CB PHE A 119 15.950 -14.123 23.144 1.00 4.44 C ATOM 1807 CG PHE A 119 14.889 -14.378 22.113 1.00 14.50 C ATOM 1808 CD1 PHE A 119 15.121 -14.097 20.776 1.00 3.12 C ATOM 1809 CD2 PHE A 119 13.658 -14.898 22.480 1.00 23.21 C ATOM 1810 CE1 PHE A 119 14.146 -14.330 19.825 1.00 13.14 C ATOM 1811 CE2 PHE A 119 12.679 -15.134 21.534 1.00 51.34 C ATOM 1812 CZ PHE A 119 12.923 -14.850 20.204 1.00 5.03 C ATOM 0 H PHE A 119 15.578 -11.562 21.622 1.00 51.12 H new ATOM 0 HA PHE A 119 16.976 -12.443 24.009 1.00 62.24 H new ATOM 0 HB2 PHE A 119 16.727 -14.882 23.049 1.00 4.44 H new ATOM 0 HB3 PHE A 119 15.515 -14.235 24.137 1.00 4.44 H new ATOM 0 HD1 PHE A 119 16.075 -13.691 20.474 1.00 3.12 H new ATOM 0 HD2 PHE A 119 13.461 -15.122 23.518 1.00 23.21 H new ATOM 0 HE1 PHE A 119 14.340 -14.106 18.786 1.00 13.14 H new ATOM 0 HE2 PHE A 119 11.724 -15.540 21.834 1.00 51.34 H new ATOM 0 HZ PHE A 119 12.160 -15.034 19.462 1.00 5.03 H new ATOM 1822 N GLY A 120 18.027 -11.642 21.414 1.00 50.41 N ATOM 1823 CA GLY A 120 19.111 -11.570 20.452 1.00 3.41 C ATOM 1824 C GLY A 120 18.635 -11.761 19.026 1.00 70.11 C ATOM 1825 O GLY A 120 18.302 -12.874 18.620 1.00 42.42 O ATOM 0 H GLY A 120 17.518 -10.769 21.553 1.00 50.41 H new ATOM 0 HA2 GLY A 120 19.607 -10.603 20.540 1.00 3.41 H new ATOM 0 HA3 GLY A 120 19.854 -12.332 20.689 1.00 3.41 H new ATOM 1829 N ASN A 121 18.601 -10.673 18.264 1.00 55.40 N ATOM 1830 CA ASN A 121 18.159 -10.726 16.875 1.00 11.51 C ATOM 1831 C ASN A 121 18.234 -9.346 16.227 1.00 21.24 C ATOM 1832 O ASN A 121 18.661 -9.209 15.082 1.00 60.23 O ATOM 1833 CB ASN A 121 16.728 -11.262 16.793 1.00 25.41 C ATOM 1834 CG ASN A 121 16.553 -12.273 15.676 1.00 43.43 C ATOM 1835 OD1 ASN A 121 17.275 -12.244 14.679 1.00 43.20 O ATOM 1836 ND2 ASN A 121 15.590 -13.172 15.837 1.00 22.55 N ATOM 0 H ASN A 121 18.874 -9.744 18.585 1.00 55.40 H new ATOM 0 HA ASN A 121 18.824 -11.399 16.334 1.00 11.51 H new ATOM 0 HB2 ASN A 121 16.461 -11.724 17.743 1.00 25.41 H new ATOM 0 HB3 ASN A 121 16.040 -10.431 16.638 1.00 25.41 H new ATOM 0 HD21 ASN A 121 15.424 -13.876 15.118 1.00 22.55 H new ATOM 0 HD22 ASN A 121 15.016 -13.159 16.680 1.00 22.55 H new ATOM 1843 N GLY A 122 17.816 -8.326 16.970 1.00 3.34 N ATOM 1844 CA GLY A 122 17.845 -6.970 16.453 1.00 71.35 C ATOM 1845 C GLY A 122 16.491 -6.514 15.946 1.00 31.51 C ATOM 1846 O GLY A 122 15.812 -5.718 16.595 1.00 2.31 O ATOM 0 H GLY A 122 17.458 -8.414 17.921 1.00 3.34 H new ATOM 0 HA2 GLY A 122 18.183 -6.293 17.237 1.00 71.35 H new ATOM 0 HA3 GLY A 122 18.572 -6.909 15.643 1.00 71.35 H new ATOM 1850 N THR A 123 16.096 -7.019 14.781 1.00 34.34 N ATOM 1851 CA THR A 123 14.815 -6.657 14.187 1.00 63.34 C ATOM 1852 C THR A 123 13.718 -7.627 14.611 1.00 62.04 C ATOM 1853 O THR A 123 13.900 -8.844 14.563 1.00 14.13 O ATOM 1854 CB THR A 123 14.897 -6.633 12.649 1.00 62.24 C ATOM 1855 OG1 THR A 123 16.265 -6.564 12.232 1.00 64.21 O ATOM 1856 CG2 THR A 123 14.130 -5.447 12.084 1.00 35.24 C ATOM 0 H THR A 123 16.645 -7.680 14.231 1.00 34.34 H new ATOM 0 HA THR A 123 14.571 -5.658 14.547 1.00 63.34 H new ATOM 0 HB THR A 123 14.447 -7.551 12.270 1.00 62.24 H new ATOM 0 HG1 THR A 123 16.308 -6.551 11.253 1.00 64.21 H new ATOM 0 HG21 THR A 123 14.203 -5.452 10.996 1.00 35.24 H new ATOM 0 HG22 THR A 123 13.083 -5.517 12.378 1.00 35.24 H new ATOM 0 HG23 THR A 123 14.554 -4.521 12.472 1.00 35.24 H new ATOM 1864 N TYR A 124 12.580 -7.081 15.024 1.00 21.00 N ATOM 1865 CA TYR A 124 11.454 -7.899 15.458 1.00 14.42 C ATOM 1866 C TYR A 124 10.139 -7.350 14.910 1.00 24.44 C ATOM 1867 O TYR A 124 9.988 -6.143 14.719 1.00 21.35 O ATOM 1868 CB TYR A 124 11.398 -7.957 16.986 1.00 75.14 C ATOM 1869 CG TYR A 124 12.665 -8.485 17.618 1.00 4.44 C ATOM 1870 CD1 TYR A 124 13.807 -7.696 17.695 1.00 60.14 C ATOM 1871 CD2 TYR A 124 12.722 -9.771 18.139 1.00 63.50 C ATOM 1872 CE1 TYR A 124 14.968 -8.174 18.271 1.00 30.01 C ATOM 1873 CE2 TYR A 124 13.878 -10.257 18.719 1.00 63.14 C ATOM 1874 CZ TYR A 124 14.998 -9.455 18.782 1.00 5.21 C ATOM 1875 OH TYR A 124 16.152 -9.935 19.357 1.00 24.44 O ATOM 0 H TYR A 124 12.413 -6.076 15.067 1.00 21.00 H new ATOM 0 HA TYR A 124 11.597 -8.907 15.068 1.00 14.42 H new ATOM 0 HB2 TYR A 124 11.199 -6.957 17.372 1.00 75.14 H new ATOM 0 HB3 TYR A 124 10.562 -8.588 17.287 1.00 75.14 H new ATOM 0 HD1 TYR A 124 13.786 -6.692 17.298 1.00 60.14 H new ATOM 0 HD2 TYR A 124 11.847 -10.402 18.090 1.00 63.50 H new ATOM 0 HE1 TYR A 124 15.847 -7.549 18.321 1.00 30.01 H new ATOM 0 HE2 TYR A 124 13.904 -11.259 19.121 1.00 63.14 H new ATOM 0 HH TYR A 124 16.024 -10.021 20.325 1.00 24.44 H new ATOM 1885 N HIS A 125 9.190 -8.247 14.660 1.00 4.10 N ATOM 1886 CA HIS A 125 7.887 -7.854 14.135 1.00 23.43 C ATOM 1887 C HIS A 125 6.788 -8.765 14.675 1.00 51.54 C ATOM 1888 O HIS A 125 7.022 -9.922 15.023 1.00 11.11 O ATOM 1889 CB HIS A 125 7.896 -7.896 12.607 1.00 72.01 C ATOM 1890 CG HIS A 125 7.984 -6.543 11.971 1.00 2.34 C ATOM 1891 ND1 HIS A 125 6.961 -5.992 11.229 1.00 2.41 N ATOM 1892 CD2 HIS A 125 8.982 -5.628 11.972 1.00 12.20 C ATOM 1893 CE1 HIS A 125 7.326 -4.797 10.799 1.00 3.01 C ATOM 1894 NE2 HIS A 125 8.548 -4.552 11.237 1.00 63.24 N ATOM 0 H HIS A 125 9.299 -9.250 14.812 1.00 4.10 H new ATOM 0 HA HIS A 125 7.683 -6.834 14.461 1.00 23.43 H new ATOM 0 HB2 HIS A 125 8.739 -8.501 12.273 1.00 72.01 H new ATOM 0 HB3 HIS A 125 6.990 -8.393 12.260 1.00 72.01 H new ATOM 0 HD2 HIS A 125 9.941 -5.726 12.460 1.00 12.20 H new ATOM 0 HE1 HIS A 125 6.727 -4.134 10.193 1.00 3.01 H new ATOM 0 HE2 HIS A 125 9.082 -3.702 11.058 1.00 63.24 H new ATOM 1902 N PRO A 126 5.559 -8.231 14.747 1.00 44.15 N ATOM 1903 CA PRO A 126 4.400 -8.978 15.243 1.00 53.23 C ATOM 1904 C PRO A 126 3.970 -10.084 14.285 1.00 32.13 C ATOM 1905 O PRO A 126 4.054 -9.930 13.067 1.00 4.13 O ATOM 1906 CB PRO A 126 3.309 -7.909 15.350 1.00 71.34 C ATOM 1907 CG PRO A 126 3.704 -6.865 14.364 1.00 41.51 C ATOM 1908 CD PRO A 126 5.208 -6.858 14.348 1.00 13.54 C ATOM 0 HA PRO A 126 4.614 -9.485 16.184 1.00 53.23 H new ATOM 0 HB2 PRO A 126 2.327 -8.321 15.118 1.00 71.34 H new ATOM 0 HB3 PRO A 126 3.253 -7.500 16.359 1.00 71.34 H new ATOM 0 HG2 PRO A 126 3.304 -7.091 13.375 1.00 41.51 H new ATOM 0 HG3 PRO A 126 3.312 -5.889 14.651 1.00 41.51 H new ATOM 0 HD2 PRO A 126 5.598 -6.614 13.360 1.00 13.54 H new ATOM 0 HD3 PRO A 126 5.614 -6.122 15.042 1.00 13.54 H new ATOM 1916 N GLN A 127 3.508 -11.198 14.844 1.00 25.15 N ATOM 1917 CA GLN A 127 3.066 -12.330 14.039 1.00 53.12 C ATOM 1918 C GLN A 127 1.545 -12.444 14.050 1.00 51.13 C ATOM 1919 O GLN A 127 0.994 -13.537 14.188 1.00 10.42 O ATOM 1920 CB GLN A 127 3.690 -13.627 14.557 1.00 51.23 C ATOM 1921 CG GLN A 127 5.207 -13.583 14.634 1.00 5.14 C ATOM 1922 CD GLN A 127 5.809 -14.909 15.058 1.00 53.42 C ATOM 1923 OE1 GLN A 127 5.160 -15.952 14.977 1.00 53.12 O ATOM 1924 NE2 GLN A 127 7.056 -14.875 15.513 1.00 52.03 N ATOM 0 H GLN A 127 3.430 -11.340 15.851 1.00 25.15 H new ATOM 0 HA GLN A 127 3.393 -12.163 13.013 1.00 53.12 H new ATOM 0 HB2 GLN A 127 3.290 -13.842 15.548 1.00 51.23 H new ATOM 0 HB3 GLN A 127 3.391 -14.449 13.907 1.00 51.23 H new ATOM 0 HG2 GLN A 127 5.608 -13.301 13.661 1.00 5.14 H new ATOM 0 HG3 GLN A 127 5.509 -12.809 15.340 1.00 5.14 H new ATOM 0 HE21 GLN A 127 7.557 -13.988 15.563 1.00 52.03 H new ATOM 0 HE22 GLN A 127 7.513 -15.736 15.813 1.00 52.03 H new ATOM 1933 N THR A 128 0.870 -11.308 13.903 1.00 50.10 N ATOM 1934 CA THR A 128 -0.587 -11.280 13.897 1.00 11.25 C ATOM 1935 C THR A 128 -1.149 -12.107 12.747 1.00 23.50 C ATOM 1936 O THR A 128 -2.075 -12.898 12.931 1.00 0.53 O ATOM 1937 CB THR A 128 -1.121 -9.839 13.787 1.00 62.13 C ATOM 1938 OG1 THR A 128 -0.482 -9.004 14.759 1.00 71.02 O ATOM 1939 CG2 THR A 128 -2.628 -9.803 13.992 1.00 62.14 C ATOM 0 H THR A 128 1.310 -10.395 13.786 1.00 50.10 H new ATOM 0 HA THR A 128 -0.915 -11.710 14.844 1.00 11.25 H new ATOM 0 HB THR A 128 -0.898 -9.468 12.787 1.00 62.13 H new ATOM 0 HG1 THR A 128 -0.826 -8.090 14.681 1.00 71.02 H new ATOM 0 HG21 THR A 128 -2.982 -8.775 13.910 1.00 62.14 H new ATOM 0 HG22 THR A 128 -3.113 -10.416 13.232 1.00 62.14 H new ATOM 0 HG23 THR A 128 -2.870 -10.192 14.981 1.00 62.14 H new